data_2p6j_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 2p6j _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.751 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.649 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.649 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.681 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.641 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.4 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 1.1 p90 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.507 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.507 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.808 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 87.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD22 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.838 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.838 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' HB2' ' HZ3' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.56 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.56 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 HG21 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HB3' HG21 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.687 ' HZ3' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.515 0.198 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.603 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.687 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 4.3 t60 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 15.0 mm100 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.739 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.555 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HB3' HG21 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.917 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.588 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.612 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.623 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 22' ' ' ILE . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 HG22 ' A' ' 22' ' ' ILE . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.48 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG23 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 31.8 m-70 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.739 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.475 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 9.7 p90 . . . . . 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.787 HG13 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.491 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.491 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.787 HD21 HG13 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.554 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.81 ' HB2' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.503 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.503 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.436 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 27.7 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.56 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.671 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.607 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 9.9 t-105 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 36' ' ' LEU . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE2' HD12 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 8' ' ' VAL . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.715 ' O ' HG13 ' A' ' 41' ' ' ILE . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.515 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.62 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.548 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.67 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.731 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HB3' HG21 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.915 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.598 ' HB3' HG22 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.64 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.539 ' H ' ' CD1' ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 8' ' ' VAL . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.915 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.619 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG13 ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.619 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 43' ' ' GLN . 3.5 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.71 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 11' ' ' LYS . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.627 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.606 HD12 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HG2' HD12 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 29' ' ' GLN . 2.1 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.597 ' HB3' HG23 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.652 HD22 ' HB3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.652 ' HB3' HD22 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.71 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.861 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.866 HG12 HD22 ' A' ' 36' ' ' LEU . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 12.6 m-70 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.444 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HB3' HD12 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.866 HD22 HG12 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.547 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.977 0.418 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.547 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.464 HD13 HG22 ' A' ' 22' ' ' ILE . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.43 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.459 HE21 ' HB3' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.545 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 34' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.545 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 HG22 HD21 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD21 HG22 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.756 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 HD21 HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 37' ' ' ASN . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.7 m-70 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.575 HD13 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.575 ' HB3' HD13 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 . . . . . 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.502 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 41' ' ' ILE . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.656 ' HZ3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.489 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.709 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.681 ' HZ1' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.656 HD21 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.572 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.0 m-70 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.656 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.656 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 41' ' ' ILE . 47.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.713 ' HB3' HG22 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 5' ' ' SER . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.55 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' ILE . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.643 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.722 HD12 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.722 HD13 HD12 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.842 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.467 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.681 HG22 HD21 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.57 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.1 OUTLIER -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.439 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.857 ' HB2' HG21 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 5' ' ' SER . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.719 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.719 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 21' ' ' ARG . 2.2 t60 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HB2' ' HD2' ' A' ' 19' ' ' HIS . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 30' ' ' TYR . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.627 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.627 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' HD12 ' A' ' 27' ' ' LEU . 43.6 m-85 . . . . . 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.513 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.54 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.573 ' O ' HG21 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.648 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.648 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 HD12 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.654 HD22 ' HZ ' ' A' ' 45' ' ' PHE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.472 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HB3' HG21 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.654 ' HZ ' HD22 ' A' ' 27' ' ' LEU . 42.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.803 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.458 ' N ' HD21 ' A' ' 7' ' ' ASN . 0.9 OUTLIER -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.623 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.808 ' HB2' ' HZ2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.903 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.903 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 24.4 m-70 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' OE1' HD12 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 37' ' ' ASN . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 ' HG1' ' CD ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD11 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.779 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' HG21 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 16.2 mm100 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.457 ' HD1' ' HB3' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' HG22 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB2' HD13 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 98.1 m-85 . . . . . 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB2' HG21 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.658 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 2.0 t60 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 17.1 mm100 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CD2' HD23 ' A' ' 12' ' ' LEU . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.788 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.436 HD21 ' HA ' ' A' ' 7' ' ' ASN . 8.6 m120 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG11 HD22 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.525 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 8.7 m-70 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.525 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.7 mm100 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 34' ' ' LEU . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 30' ' ' TYR . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.542 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.748 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.553 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.695 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.733 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.695 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.602 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 HG13 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.607 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.552 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.67 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.818 ' HG ' HD13 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' CG2' HD22 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD22 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.818 HD13 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.621 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.552 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.586 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HZ1' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.6 m-70 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.576 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.558 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.499 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 17.9 m-70 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.734 HD11 HG12 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.53 ' O ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.554 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.554 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.437 HG23 HD21 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.74 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 26' ' ' GLU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 9.4 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HB3' HD12 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.404 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.74 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.666 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.807 ' HB3' HG21 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.649 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 HD21 ' A' ' 27' ' ' LEU . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD21 HG23 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.637 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.637 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CE3' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.616 HG13 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.63 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.658 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 20' ' ' GLN . 2.8 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' HD22 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.678 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 23.5 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CE2' HD12 ' A' ' 34' ' ' LEU . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 30' ' ' TYR . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.864 ' HB2' HG21 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.674 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.667 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 7.4 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.723 ' HB3' HG22 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.764 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.695 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.412 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 HG22 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 7.0 tp-100 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.695 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -91.14 106.03 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.123 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 44.7 mt-30 -117.28 13.19 14.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.299 0.571 . . . . 0.0 110.016 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.751 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -172.99 -169.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.348 -175.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.649 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.649 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD22 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.681 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.641 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -83.03 -55.84 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -33.61 74.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 110.639 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 28.8 mt-10 -111.0 33.78 4.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.888 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.8 ' HD2' HE22 ' A' ' 50' ' ' GLN . 31.4 t80 -69.74 -76.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.091 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -155.33 12.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.206 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.8 HE22 ' HD2' ' A' ' 48' ' ' PHE . 14.1 mp0 -107.83 15.57 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 47' ' ' GLU . 17.9 mtt180 -51.27 135.86 25.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.921 -1.491 . . . . 0.0 112.16 -175.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.4 pttt . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.115 176.082 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' HD2' ' HG3' ' A' ' 6' ' ' GLU . 31.5 mtmt -55.21 123.16 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.303 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -133.1 16.31 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.079 0.466 . . . . 0.0 110.448 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.4 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 1.1 p90 -151.54 -166.97 2.66 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -175.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.979 HG13 HD22 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.507 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.507 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.808 ' HA ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.979 HD22 HG13 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HB3' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 87.5 m-85 -79.81 -54.59 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -71.01 -47.59 57.91 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.431 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 38.4 mt-10 -95.84 40.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.623 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -72.15 177.76 4.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.353 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.95 5.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -89.13 -0.57 57.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.144 0.497 . . . . 0.0 110.436 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' NH1' ' HG2' ' A' ' 47' ' ' GLU . 93.8 mtt180 -91.6 -174.48 3.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.115 174.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.529 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.092 0.472 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -152.14 166.62 31.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.66 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.246 0.546 . . . . 0.0 109.554 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -178.54 3.43 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.65 ' HB2' HG22 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD22 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.838 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.838 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 -82.83 -65.42 1.01 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.6 -35.32 65.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.607 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.675 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 32.7 mt-10 -96.87 34.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -83.5 -170.72 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.0 -8.31 53.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.752 0.311 . . . . 0.0 111.169 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -92.49 -1.73 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.372 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.675 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 44.0 ttt180 -71.91 132.67 44.69 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.757 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.798 0.686 . . . . 0.0 110.741 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.909 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 24.4 ptp . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.909 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 22.7 mtpp -131.33 114.48 15.06 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.827 -0.546 . . . . 0.0 111.045 -176.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -131.33 -63.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.637 0.732 . . . . 0.0 109.997 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.76 -175.66 2.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.169 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.634 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.56 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.56 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 HG21 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' C ' HD12 ' A' ' 27' ' ' LEU . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' HB3' HG21 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.654 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 -92.77 -38.58 11.71 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 11.4 pt-20 -70.32 -41.69 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 0.0 110.66 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.58 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.1 mt-10 -109.34 36.01 3.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.576 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 61.2 t80 -74.37 -71.1 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.94 4.94 18.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.283 0.564 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -96.95 25.43 5.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -77.3 72.58 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.894 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.273 -176.366 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -69.79 152.43 44.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.188 0.449 . . . . 0.0 110.115 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -174.21 -51.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -171.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.687 ' HZ3' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.99 163.59 14.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.753 175.082 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.603 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG13 HD22 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.687 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.609 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 4.3 t60 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 15.0 mm100 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.529 HD12 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.673 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD22 HG13 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.769 ' HA ' ' HB3' ' A' ' 47' ' ' GLU . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.03 -64.71 1.05 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.82 -48.23 11.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.592 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.769 ' HB3' ' HA ' ' A' ' 43' ' ' GLN . 27.4 tt0 -85.02 8.38 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.231 0.538 . . . . 0.0 110.653 -176.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 74.3 t80 -58.36 -72.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.476 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 14.6 pt-20 -135.22 -13.3 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.707 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -24.89 41.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.992 0.425 . . . . 0.0 111.131 -174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.755 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 83.5 mtt180 -95.29 97.61 9.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.124 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.051 177.718 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 14.3 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' MET . 13.1 mptt 69.56 173.63 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.333 0.587 . . . . 0.0 111.244 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.22 -61.49 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.739 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.56 164.16 24.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.436 177.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.555 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG21 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.544 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.544 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HB3' HG21 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -68.81 -38.94 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 6.3 tt0 -80.23 -47.34 14.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.713 -170.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.14 44.01 1.04 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.645 0.736 . . . . 0.0 110.283 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -65.26 161.19 19.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.551 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -15.75 61.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.888 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -76.73 -18.06 58.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.245 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 80.2 mtt180 -107.13 117.0 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.361 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.4 pttt . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.857 -178.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.829 0.347 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -94.73 101.72 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.434 HE22 ' HG2' ' A' ' 43' ' ' GLN . 22.2 mt-30 -131.04 -62.83 0.88 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.146 0.498 . . . . 0.0 110.129 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.917 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -123.84 174.63 7.41 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.588 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG11 HD23 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.632 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.623 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 22' ' ' ILE . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD12 HG22 ' A' ' 22' ' ' ILE . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.48 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.917 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.429 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.617 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.35 -61.38 1.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.6 -34.73 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.617 ' HB3' ' NE2' ' A' ' 43' ' ' GLN . 85.3 tt0 -133.05 61.15 1.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.597 0.713 . . . . 0.0 109.837 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.49 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 63.9 t80 -67.07 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.004 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 17.2 pt-20 170.71 -33.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.975 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.75 -19.69 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.235 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -73.59 97.56 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.348 0.594 . . . . 0.0 111.476 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HZ1' ' HB3' ' A' ' 52' ' ' LYS . 8.5 mtpm? . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.188 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 16.9 ptp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.8 mmtm -110.63 121.94 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.916 -0.49 . . . . 0.0 110.379 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 179.57 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.522 ' CZ2' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.54 -176.92 3.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.748 172.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 HG22 HG23 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 31.8 m-70 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.739 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -89.06 -48.97 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.44 -28.96 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.71 -0.62 57.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.394 0.616 . . . . 0.0 110.196 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -76.15 -158.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.022 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.41 -11.11 60.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.279 0.561 . . . . 0.0 110.309 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.25 23.54 0.88 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.376 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 57.4 mtt180 -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.416 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.207 -0.902 . . . . 0.0 109.689 -179.047 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.807 0.337 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -150.79 167.18 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.871 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.46 -50.74 6.34 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' CD2' ' HB1' ' A' ' 40' ' ' ALA . 9.7 p90 -151.64 168.06 26.18 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.787 HG13 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.491 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' O ' HG23 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' HD3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.787 HD21 HG13 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.554 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -91.28 -41.27 11.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.34 -23.84 54.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.87 48.33 2.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.417 0.627 . . . . 0.0 110.393 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 24.5 t80 -75.9 -72.42 0.32 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.335 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 10.3 pt-20 -167.61 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -86.75 4.32 41.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -148.35 131.42 16.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.963 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' OXT' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.919 174.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.75 140.88 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -123.7 -67.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.493 . . . . 0.0 110.639 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.81 ' HB2' HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -87.43 167.15 14.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.336 177.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.503 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.436 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 27.7 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.415 HG21 HD22 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD22 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' HB3' HG23 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.81 HD23 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.12 -45.1 8.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.63 -27.87 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.324 0.583 . . . . 0.0 110.583 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -121.46 53.09 1.19 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.206 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -77.66 -73.09 0.32 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.168 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -161.65 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.55 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -101.69 -28.2 12.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.231 0.538 . . . . 0.0 109.606 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.98 119.03 23.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.235 171.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.029 -178.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.53 150.93 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.172 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.419 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 1.3 pm0 -130.97 19.96 4.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.736 -168.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -161.82 -171.22 2.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.56 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.608 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.671 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -79.98 -57.73 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -70.39 -46.36 64.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.704 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -98.34 42.73 1.08 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.657 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.93 -55.98 15.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.84 -8.15 14.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.675 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -90.36 24.13 2.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.304 0.573 . . . . 0.0 110.926 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -81.34 55.69 2.66 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.846 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt . . . . . 0 C--O 1.252 1.194 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.201 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -160.99 116.34 2.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.708 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 16.6 mm-40 -116.62 132.81 56.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.607 ' HB2' ' ND2' ' A' ' 37' ' ' ASN . 9.9 t-105 66.66 15.37 10.1 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.556 ' HB2' HG22 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG12 HD21 ' A' ' 36' ' ' LEU . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.626 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE2' HD12 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.795 HD21 HG12 ' A' ' 8' ' ' VAL . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.715 ' O ' HG13 ' A' ' 41' ' ' ILE . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.515 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.715 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.52 -46.06 8.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 10.5 pt-20 -73.38 -27.19 61.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 0.0 111.044 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -119.33 48.85 1.43 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.998 174.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.44 -75.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 175.49 -38.11 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -111.43 5.13 19.43 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.676 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.29 90.33 2.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.525 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.6 pttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.241 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.55 0.214 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 72.8 mmtt -102.85 -1.55 29.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.5 tp-100 170.45 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -175.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.62 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.84 -174.96 2.91 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.3 171.347 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.548 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.67 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.731 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HB3' HG21 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.429 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.62 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -91.07 -70.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.03 -53.56 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -94.77 38.43 1.12 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.973 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 36.2 t80 -49.7 -70.29 0.09 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.248 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' HG3' ' HG2' ' A' ' 50' ' ' GLN . 15.1 pt-20 168.2 -30.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.957 0.786 . . . . 0.0 109.138 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.613 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 68.9 mm-40 -106.41 16.98 24.03 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.775 0.798 . . . . 0.0 109.034 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -146.2 127.53 14.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.133 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.055 0.847 . . . . 0.0 111.533 173.221 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -134.85 131.77 37.79 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.533 ' HG3' HE22 ' A' ' 43' ' ' GLN . 12.8 mm100 -107.97 -4.82 17.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.576 -169.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.915 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -177.53 -174.6 0.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -175.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.598 ' HB3' HG22 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.807 HG13 HD12 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.64 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.581 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.718 HD13 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.539 ' H ' ' CD1' ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD11 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 8' ' ' VAL . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.915 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.619 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' HA ' HG13 ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.619 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.551 HG13 ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.533 HE22 ' HG3' ' A' ' 3' ' ' GLN . 3.5 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 -80.05 -46.91 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.22 -38.54 60.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.38 0.61 . . . . 0.0 110.761 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.903 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 26.3 tt0 -110.53 44.26 1.28 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.443 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.31 164.98 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 12.2 pt-20 -61.37 -27.47 68.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.839 0.352 . . . . 0.0 111.527 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.641 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 15.1 mt-30 -103.65 -0.01 30.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.416 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -108.77 32.22 5.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.917 -175.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.903 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 35.8 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.626 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.96 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.69 0.757 . . . . 0.0 109.042 -168.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -86.97 -42.87 12.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.296 -170.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.71 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -88.3 176.47 7.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.273 170.469 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG22 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 11' ' ' LYS . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.627 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.606 HD12 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HG2' HD12 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 29' ' ' GLN . 2.1 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.597 ' HB3' HG23 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.652 HD22 ' HB3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.652 ' HB3' HD22 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.71 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.643 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.54 -60.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.702 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 42.0 tt0 -62.6 -45.75 91.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.75 0.66 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.157 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 19.4 t80 -88.53 -65.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.74 2.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.909 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.702 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 15.3 mm100 -98.83 25.18 6.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.575 0.702 . . . . 0.0 109.82 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.88 131.76 45.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.091 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.807 ' HB3' ' HZ3' ' A' ' 52' ' ' LYS . 9.2 mtpm? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.351 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 24.8 ptm . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.474 0.178 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 1' ' ' MET . 4.2 mppt? 67.21 174.98 0.26 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.202 0.525 . . . . 0.0 110.442 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -124.19 14.04 9.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.73 0.776 . . . . 0.0 109.899 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -145.85 148.57 33.02 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.861 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.866 HG12 HD22 ' A' ' 36' ' ' LEU . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 12.6 m-70 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.444 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' HB3' HD12 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HB3' HG21 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.866 HD22 HG12 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.547 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.5 -48.59 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.63 -32.51 31.92 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -101.37 26.88 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.753 0.787 . . . . 0.0 109.932 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' HD2' ' HG2' ' A' ' 50' ' ' GLN . 13.9 t80 -71.32 -176.45 1.49 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.057 173.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.95 15.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.164 0.507 . . . . 0.0 111.297 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.533 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 28.4 mm-40 -107.56 18.5 21.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -76.11 145.25 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.142 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 6.5 mtmp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.403 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -124.61 127.07 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.016 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -125.53 -58.7 1.41 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.687 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' HB3' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.41 179.94 4.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.208 175.116 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.547 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.464 HD13 HG22 ' A' ' 22' ' ' ILE . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.43 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.459 HE21 ' HB3' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.4 -49.02 15.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.86 -39.39 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.136 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.11 23.13 5.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.498 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -62.91 160.36 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.056 0.455 . . . . 0.0 110.214 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.9 -16.21 60.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.23 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -100.12 -3.2 32.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -114.45 117.92 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.584 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.342 174.231 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.53 ' HE2' ' O ' ' A' ' 4' ' ' TRP . 7.6 ptmm? -62.93 124.86 22.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.831 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -93.14 -38.59 11.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.545 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 -118.75 -166.61 1.26 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 166.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG21 ' HB3' ' A' ' 34' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.545 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 HG22 HD21 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD21 HG22 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.756 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 HD21 HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 37' ' ' ASN . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.681 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 21.0 m-85 -87.66 -56.91 3.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -59.36 -43.27 92.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.142 0.496 . . . . 0.0 111.38 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -107.55 42.28 1.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.567 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -70.98 -77.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.353 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.73 -67.1 0.49 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.599 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -123.7 9.31 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.848 -171.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.681 ' HD2' ' O ' ' A' ' 45' ' ' PHE . 76.9 mtt180 -75.09 138.58 42.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.051 0.453 . . . . 0.0 111.402 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.627 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -99.96 128.22 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.97 -74.28 0.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.511 0.672 . . . . 0.0 110.282 -174.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -177.71 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.7 m-70 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.409 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.575 HD13 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.575 ' HB3' HD13 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.781 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . 7.2 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.81 -65.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.7 -58.87 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.45 -175.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.781 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 40.5 mt-10 -92.97 37.0 1.02 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.931 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 43.1 t80 -51.99 -68.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.475 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 9.2 pt-20 177.33 -33.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.144 0.497 . . . . 0.0 110.475 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -113.94 15.2 18.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.686 -174.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -132.09 104.06 6.6 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.943 -173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.507 173.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.566 0.222 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -148.77 113.33 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.096 0.474 . . . . 0.0 111.786 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 3' ' ' GLN . 5.3 mt-30 -152.0 154.58 36.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 168.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 -77.99 136.06 37.9 Favored 'General case' 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 -173.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.502 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.502 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.552 HG23 HD21 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HA ' HD11 ' A' ' 41' ' ' ILE . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 -92.77 -33.24 14.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 17.8 tp10 -70.05 -59.81 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.902 -178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -96.85 40.29 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.403 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.62 167.6 16.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.706 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.74 -4.46 23.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.158 0.504 . . . . 0.0 111.728 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.63 -8.37 59.6 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.813 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -126.2 146.43 49.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.445 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 C--O 1.248 0.978 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.901 179.464 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 7.3 ptpp? -81.04 112.81 18.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.369 0.604 . . . . 0.0 109.74 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -110.48 -11.31 14.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.858 -176.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.656 ' HZ3' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER 179.79 168.24 1.2 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.607 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.489 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.709 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.681 ' HZ1' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.656 HD21 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.709 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.586 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.698 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.896 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.41 -40.81 10.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.896 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 7.4 pt-20 -67.08 -34.21 77.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.208 0.528 . . . . 0.0 110.634 -174.8 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 39.7 mt-10 -118.16 46.36 1.8 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.816 0.817 . . . . 0.0 109.802 176.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CE1' ' HE2' ' A' ' 17' ' ' LYS . 17.1 t80 -74.31 168.99 18.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.392 -178.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -11.15 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.467 -176.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -93.95 6.2 49.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.958 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -115.4 170.83 8.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.233 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.985 -169.127 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.743 0.306 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -100.54 11.69 38.92 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -169.181 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -149.71 -56.32 0.18 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.884 0.849 . . . . 0.0 110.051 -176.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -122.34 149.86 43.19 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.902 176.892 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.528 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.572 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.0 m-70 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.656 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.656 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.486 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 47.8 m-85 -79.46 -54.25 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -73.33 -31.74 64.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.61 -0.436 . . . . 0.0 112.052 -172.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -110.19 36.13 3.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 8.3 t80 -44.78 -72.71 0.05 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 113.756 -1.566 . . . . 0.0 112.131 -174.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.655 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.7 pt-20 163.67 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.721 0.808 . . . . 0.0 108.894 -177.476 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.655 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 22.3 mt-30 -95.91 9.36 40.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.03 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -132.18 130.68 41.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.953 -177.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.234 -177.516 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.904 0.383 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -88.94 113.25 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 -177.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -128.43 -59.49 1.15 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 109.824 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.751 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -106.02 -173.2 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.378 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.713 ' HB3' HG22 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 5' ' ' SER . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.55 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.751 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' C ' ' H ' ' A' ' 22' ' ' ILE . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.643 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.722 HD12 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.722 HD13 HD12 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.842 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.842 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.681 HG22 HD21 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.476 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.57 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.1 OUTLIER -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -92.0 -39.88 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 51.0 mt-10 -69.44 -66.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -175.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.42 -15.25 63.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 -172.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 20.8 t80 -57.54 -46.7 83.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.273 -178.082 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.0 2.59 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.589 -174.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 13.8 mt-30 -90.41 11.14 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.704 0.764 . . . . 0.0 109.625 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 34.8 ptt180 -54.83 116.97 3.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.702 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 52' ' ' LYS . 40.4 mtmt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.409 178.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.078 0.466 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -173.34 2.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.394 -178.075 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.771 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 50.8 tp60 -161.15 -53.79 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -69.55 145.21 52.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.637 164.557 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.857 ' HB2' HG21 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.857 HG21 ' HB2' ' A' ' 5' ' ' SER . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.719 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.719 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.676 ' HD2' ' HB2' ' A' ' 21' ' ' ARG . 2.2 t60 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HB2' ' HD2' ' A' ' 19' ' ' HIS . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HG23 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 30' ' ' TYR . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.627 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.771 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' CE2' HD21 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.484 ' CZ ' HD12 ' A' ' 27' ' ' LEU . 43.6 m-85 -88.11 -62.06 1.58 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.56 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.6 pt-20 -81.8 -50.63 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -170.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 34.0 tt0 -67.64 -20.82 65.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.963 0.411 . . . . 0.0 110.563 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 13.0 t80 -51.09 -60.63 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.01 178.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 12.6 pt-20 -72.21 -8.67 56.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.305 -176.07 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 18.0 mt-30 -89.73 -5.56 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -176.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -91.6 100.72 13.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.094 -177.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 49' ' ' GLU . 69.9 mmtt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.725 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.829 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 15.0 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -126.59 121.19 31.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.048 175.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.23 9.13 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.941 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.513 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -161.14 -164.05 1.11 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.428 -175.146 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.54 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.573 ' O ' HG21 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.648 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.648 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.581 HG23 HD12 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.654 HD22 ' HZ ' ' A' ' 45' ' ' PHE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.472 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HB3' HG21 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.56 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.654 ' HZ ' HD22 ' A' ' 27' ' ' LEU . 42.0 m-85 -80.42 -43.41 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -71.58 -57.92 3.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.942 0.401 . . . . 0.0 111.776 -172.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 49.2 mt-10 -84.45 23.34 1.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.291 -174.398 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 32.7 t80 -82.98 -30.32 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 -177.12 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.1 -29.98 58.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.6 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -104.64 17.41 24.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.709 -174.323 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.08 41.77 3.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.873 0.368 . . . . 0.0 111.05 -178.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.549 175.05 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.536 0.208 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -103.15 -33.37 9.24 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.432 -173.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 12.5 mt-30 -163.65 -56.89 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.192 -175.262 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -99.35 174.22 6.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 179.177 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.803 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.458 ' N ' HD21 ' A' ' 7' ' ' ASN . 0.9 OUTLIER -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.623 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.808 ' HB2' ' HZ2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.523 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.903 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.554 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.903 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 24.4 m-70 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' OE1' HD12 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG21 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB3' HD21 ' A' ' 37' ' ' ASN . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 3' ' ' GLN . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.623 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -81.74 -50.29 9.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.5 pt-20 -71.3 -37.96 71.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.446 . . . . 0.0 111.725 -174.493 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 -16.44 60.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 177.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -79.66 -70.01 0.54 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 170.827 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 19.6 tt0 33.0 47.05 0.1 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.147 1.379 . . . . 0.0 112.351 176.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 2.8 pt20 44.56 27.52 0.25 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.604 1.19 . . . . 0.0 112.61 178.744 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.56 104.46 7.08 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.496 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 3.6 ptmm? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.413 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 61.15 70.47 0.61 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.577 -172.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.659 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 59.2 tp60 -91.13 -35.89 14.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.193 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.59 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -84.99 177.12 8.05 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.782 164.648 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.427 HG23 HD11 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' HG1' ' CD ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' CD ' ' HG1' ' A' ' 23' ' ' THR . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD11 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.779 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' HG21 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.779 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.659 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 16.2 mm100 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -94.09 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mt-10 -79.79 -17.86 52.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.682 -166.261 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -98.24 -5.68 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.262 0.553 . . . . 0.0 110.26 175.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 3.0 t80 -75.54 -62.99 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.375 0.607 . . . . 0.0 111.121 -174.609 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' A' ' 51' ' ' ARG . 9.1 pt-20 -169.33 -24.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.824 -173.657 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.409 HE21 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -79.86 33.54 0.27 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.446 0.641 . . . . 0.0 109.35 172.563 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' H ' ' C ' ' A' ' 49' ' ' GLU . 84.2 mtt180 -66.56 98.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.139 -177.248 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.068 178.574 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 127.67 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.6 ' HG3' ' H ' ' A' ' 4' ' ' TRP . 22.7 pt20 -144.14 -55.03 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.049 0.452 . . . . 0.0 110.366 -174.032 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.6 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -98.1 171.47 8.23 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 167.711 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' HG22 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' HB2' HD13 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.564 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 98.1 m-85 -92.54 -55.37 3.42 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 13.5 pt-20 -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.673 -170.277 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 14.6 mt-10 -96.59 15.49 21.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.824 0.345 . . . . 0.0 111.731 -177.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -90.03 -66.38 0.93 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.178 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.51 3.52 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.843 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 18.3 mm100 -98.75 13.54 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.732 0.777 . . . . 0.0 109.539 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HG3' ' HA ' ' A' ' 47' ' ' GLU . 76.4 mtt180 -73.59 122.94 23.05 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.145 176.27 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.91 -177.771 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -91.23 20.5 5.05 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -108.97 143.38 38.32 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.65 151.06 1.23 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 168.551 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB2' HG21 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.658 ' HB3' ' HZ3' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 2.0 t60 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 17.1 mm100 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.649 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.503 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 -71.43 -66.1 0.67 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.538 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 49.7 mt-10 -81.87 -9.65 59.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.913 -170.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 43' ' ' GLN . 44.9 mt-10 -118.04 26.76 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.203 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 4.9 t80 -76.49 170.92 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.373 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.14 -3.79 14.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.781 -178.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.56 -8.06 51.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 48.0 ttt180 -73.27 125.56 28.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.967 0.413 . . . . 0.0 110.666 -179.397 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp 60.05 26.91 16.27 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 168.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -148.51 -55.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.214 0.53 . . . . 0.0 109.927 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.788 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -137.45 166.11 24.64 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.243 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.671 ' HB2' HG21 ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.436 HD21 ' HA ' ' A' ' 7' ' ' ASN . 8.6 m120 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG11 HD22 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 8.7 m-70 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.525 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.7 mm100 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.442 ' CE2' HD11 ' A' ' 34' ' ' LEU . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 30' ' ' TYR . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -93.21 -52.92 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -67.34 -59.41 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.198 -171.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.778 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 30.5 tt0 -94.62 33.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 -174.163 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 5.3 t80 -90.22 -174.16 4.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.159 -179.56 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 16.1 pt-20 -58.32 -18.59 28.39 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 175.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -67.71 -25.19 65.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.196 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.778 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 12.4 ttt180 -72.15 123.44 22.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -175.009 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 C--O 1.249 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 112.456 178.631 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -77.38 155.19 32.05 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -128.03 -76.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.052 0.454 . . . . 0.0 110.792 -172.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -97.0 -173.78 2.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.097 179.143 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.748 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.466 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.75 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -75.57 -41.42 54.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.75 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.0 pt-20 -69.55 -51.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.067 -176.323 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.667 -178.43 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -53.38 -49.25 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.688 -175.014 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.51 -19.05 31.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 10.8 mt-30 -78.43 -46.26 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.124 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 36.94 82.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.412 -1.267 . . . . 0.0 114.042 173.664 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.229 175.455 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -68.73 137.36 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.214 0.53 . . . . 0.0 111.05 -178.895 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.55 -50.83 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.779 177.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.695 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 -148.64 168.17 23.53 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 171.211 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.733 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.893 HG13 HD22 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.695 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.602 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 HG13 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.607 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' HB3' ' OE2' ' A' ' 46' ' ' GLU . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -94.27 -67.68 0.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' OE2' ' HB3' ' A' ' 42' ' ' ARG . 5.2 pt-20 -70.31 -40.41 74.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -166.146 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 37.7 tt0 -138.14 66.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.672 0.749 . . . . 0.0 109.779 -176.577 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.652 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 43.7 t80 -62.46 -60.76 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.634 -179.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.666 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.9 pt-20 175.52 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.782 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.666 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 14.1 mt-30 -99.38 -36.15 9.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.38 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 29.3 mtt180 -82.73 121.9 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 168.246 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.182 -179.344 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.552 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 56.9 tpp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.552 ' HD2' ' HG3' ' A' ' 1' ' ' MET . 5.5 mptp? -96.84 100.72 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -137.43 -69.92 0.45 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -79.24 -176.93 5.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.43 175.233 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.67 ' HB2' HG21 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.818 ' HG ' HD13 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.691 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' CG2' HD22 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD22 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.687 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.818 HD13 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.621 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.552 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.621 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -93.54 -62.05 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 48' ' ' PHE . 23.1 tt0 -78.11 -71.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.243 -171.272 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.52 20.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.61 0.719 . . . . 0.0 111.991 -173.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CZ ' ' HE2' ' A' ' 17' ' ' LYS . 24.9 t80 -89.98 -48.14 7.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.021 -179.415 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 9.5 pt-20 -172.51 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.761 -179.069 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.656 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 16.3 mt-30 -91.44 37.6 0.95 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.585 0.707 . . . . 0.0 110.01 -176.522 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -89.47 154.34 20.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.076 -176.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 C--O 1.247 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 112.639 178.285 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HB3' HE22 ' A' ' 3' ' ' GLN . 51.2 ttm . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -94.5 106.46 18.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.85 -178.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.521 HE22 ' HB3' ' A' ' 1' ' ' MET . 22.6 mp0 -101.41 -51.94 3.36 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.525 0.679 . . . . 0.0 109.586 179.072 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.586 ' HB3' HD21 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -78.7 175.1 10.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.809 172.802 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.779 ' HZ1' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.606 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.6 m-70 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.576 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.59 -45.16 80.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.25 -38.8 88.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.721 -172.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.55 -2.08 58.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.65 -177.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 6.6 m-85 -92.08 -88.85 0.19 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 163.831 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 35.64 40.4 0.08 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.393 1.077 . . . . 0.0 110.96 -171.937 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 38.27 38.83 0.24 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 124.233 0.958 . . . . 0.0 112.264 179.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 48' ' ' PHE . 1.1 ptp180 -106.76 158.19 17.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.223 -177.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.105 175.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.702 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 17.4 tpt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.702 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 65.0 mttm -127.05 113.63 16.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.266 -179.789 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.471 ' O ' ' HB1' ' A' ' 40' ' ' ALA . 14.7 mm100 -111.34 11.28 21.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.835 0.826 . . . . 0.0 108.806 179.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.558 ' HD1' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -163.82 -170.74 2.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.166 -171.566 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.679 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.604 ' HE3' ' HE2' ' A' ' 48' ' ' PHE . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.512 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.499 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 17.9 m-70 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.499 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HB3' HG21 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.734 HD11 HG12 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' HA ' HD11 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.558 ' HB2' ' HD1' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.02 -42.12 94.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 48' ' ' PHE . 28.7 tt0 -82.04 -55.5 4.53 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.748 -175.66 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.8 33.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.593 0.711 . . . . 0.0 110.22 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.604 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 20.7 t80 -73.13 -63.63 1.14 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.314 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.557 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 11.9 pt-20 -176.88 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.682 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.64 25.59 10.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -168.662 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 32.2 ptt180 -85.06 176.57 8.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.444 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 mtpt . . . . . 0 C--O 1.253 1.283 0 O-C-N 124.074 0.858 . . . . 0.0 110.084 -172.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.001 0.429 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -110.06 124.78 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.432 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' HB3' ' OE1' ' A' ' 39' ' ' GLU . 17.5 mm100 -114.53 16.0 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 0.0 110.673 -169.104 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.53 ' O ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.87 -167.97 1.5 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.104 -178.933 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.554 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.554 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.437 HG23 HD21 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD21 HG23 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD13 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' OE1' ' HB3' ' A' ' 3' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.73 -47.19 15.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 23.9 mt-10 -79.16 -19.61 50.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -113.73 32.0 6.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.712 0.768 . . . . 0.0 109.865 177.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -75.0 162.94 28.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.959 178.71 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.39 -21.35 62.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.901 -173.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -86.45 -27.4 24.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -177.127 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 46' ' ' GLU . 34.8 ttt180 -79.08 136.08 37.05 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.065 0.459 . . . . 0.0 111.238 -175.595 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.732 177.794 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 28.1 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.577 0.227 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -62.54 120.49 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.364 175.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -175.95 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.951 0.405 . . . . 0.0 110.579 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.74 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.2 -170.44 2.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.626 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.589 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.571 HD12 ' HB3' ' A' ' 26' ' ' GLU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 9.4 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HB3' HD12 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.404 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.74 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -89.92 -43.31 10.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.574 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 19.2 tt0 -70.5 -67.99 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.127 -174.682 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.574 ' HG3' ' HG2' ' A' ' 46' ' ' GLU . 30.4 mt-10 -94.22 43.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.485 0.66 . . . . 0.0 110.892 -173.038 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.91 -132.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.441 172.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -78.21 -4.24 46.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.669 -0.644 . . . . 0.0 110.439 172.181 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.13 36.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -176.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HE ' ' HB2' ' A' ' 51' ' ' ARG . 15.3 mtm180 -99.06 -172.61 2.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.05 179.236 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 pttt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.69 172.739 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -97.0 145.99 25.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -124.09 -78.85 0.6 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.422 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.666 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.28 154.52 20.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.843 175.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.807 ' HB3' HG21 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.649 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.71 ' HA ' ' HZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 HG23 HD21 ' A' ' 27' ' ' LEU . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD21 HG23 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD21 ' CG1' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.637 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.637 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -80.55 -63.14 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.28 -41.12 77.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.526 0.679 . . . . 0.0 111.198 -172.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' HG2' ' HG3' ' A' ' 51' ' ' ARG . 27.0 tt0 -100.13 17.93 19.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.655 -173.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.71 ' HZ ' ' HA ' ' A' ' 17' ' ' LYS . 49.4 t80 -49.59 -44.7 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.051 -178.317 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -124.23 11.24 8.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.697 -174.402 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -105.07 17.29 24.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -176.676 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 50.9 mtt180 -88.05 105.99 17.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.651 ' HZ1' ' HB3' ' A' ' 52' ' ' LYS . 7.3 mtpm? . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.479 -177.106 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -65.81 122.41 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.417 0.627 . . . . 0.0 110.622 -178.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HG3' ' HG2' ' A' ' 39' ' ' GLU . 78.3 mm-40 -109.54 -52.46 2.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.018 -178.627 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CE3' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -65.37 156.3 32.65 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.601 166.553 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.616 HG13 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.63 ' NZ ' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.658 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 20' ' ' GLN . 2.8 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' CG2' HD22 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD22 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.469 ' CE2' HD12 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.71 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' HB2' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 -74.08 -56.67 4.65 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.86 -28.82 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.348 . . . . 0.0 111.665 -170.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 43' ' ' GLN . 35.4 tt0 -76.28 -13.71 60.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 111.044 -178.318 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.92 153.67 42.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.295 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 -6.46 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.23 178.336 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.419 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -66.02 165.2 13.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 178.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.82 178.052 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.734 0.302 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -79.83 84.22 5.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -101.01 -54.75 2.73 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -179.48 3.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.945 169.489 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.678 ' HB2' HG21 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.689 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 23.5 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CE2' HD12 ' A' ' 34' ' ' LEU . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 30' ' ' TYR . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -84.56 -43.19 14.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' OE1' ' HB3' ' A' ' 42' ' ' ARG . 9.5 pt-20 -65.92 -37.47 86.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.278 0.561 . . . . 0.0 110.119 -176.153 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.01 42.11 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.498 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -73.48 170.73 14.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.124 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.18 -19.87 65.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.704 -176.23 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.913 HE21 ' HA ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -82.94 0.3 45.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.689 -173.158 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 92.9 mtt180 -121.44 5.47 10.15 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.132 0.492 . . . . 0.0 111.061 178.188 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 42.6 mttm . . . . . 0 C--O 1.246 0.882 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.523 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.644 0.259 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -137.41 117.47 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.366 0.603 . . . . 0.0 112.099 -174.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 18.4 tp60 -153.69 33.87 0.45 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.396 1.093 . . . . 0.0 108.369 169.818 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -167.07 161.78 15.0 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.113 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.864 ' HB2' HG21 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.674 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.674 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD23 HG13 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.667 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 7.4 m-85 -92.19 -51.17 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 45.1 mt-10 -82.71 -30.9 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -173.489 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -116.34 39.4 3.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 110.498 -175.263 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -74.02 159.74 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.662 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.17 -24.69 54.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.491 -173.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -82.99 -19.53 36.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 179.156 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 70.2 ttt180 -101.91 107.36 18.5 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -172.637 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.648 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 56.7 pttt -70.25 124.66 24.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.235 0.54 . . . . 0.0 109.631 175.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.738 HE21 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -123.77 -52.55 1.79 Allowed 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.166 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -87.33 -177.9 6.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.92 165.861 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.723 ' HB3' HG22 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.629 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.764 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -93.4 -68.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 45.4 mt-10 -74.68 -52.18 12.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.867 -171.218 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -81.64 18.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.499 -175.768 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 46' ' ' GLU . 51.6 t80 -89.14 -65.23 1.04 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.113 178.597 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' ARG . 10.8 pt-20 -150.22 -27.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.862 177.616 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -80.5 37.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.497 0.665 . . . . 0.0 110.345 179.588 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 34.5 mtt180 -79.93 94.23 5.84 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.738 -174.91 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.037 -179.298 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.772 0.32 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.2 165.49 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.027 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.18 -57.47 1.59 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -175.5 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.695 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -106.53 176.36 5.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.456 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.629 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.756 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 HG22 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.756 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB3' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 7.0 tp-100 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.695 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.96 -55.52 5.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -83.17 -31.04 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -173.13 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.4 37.48 2.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.879 0.847 . . . . 0.0 110.059 179.26 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.605 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 8.2 t80 -62.26 172.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.06 171.819 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.04 -27.23 68.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.86 -0.525 . . . . 0.0 110.967 -179.673 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.32 -45.94 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 15.5 mtt180 60.24 -163.59 0.24 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 170.356 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.706 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.715 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.659 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.659 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.647 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' O ' HG13 ' A' ' 41' ' ' ILE . 28.4 p-10 -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 12' ' ' LEU . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.1 p90 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.666 ' HB2' HG23 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD21 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.033 HD21 HG11 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 87.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD23 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.835 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD21 HG11 ' A' ' 8' ' ' VAL . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 41' ' ' ILE . 20.3 p30 -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.835 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' VAL . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 22' ' ' ILE . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.569 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.456 HG22 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.709 ' HZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.515 0.198 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.815 HG11 HD21 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 85.4 mm-40 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.815 HD21 HG11 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 41' ' ' ILE . 11.6 p30 -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.765 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' HD3' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.443 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.73 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.946 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 35.6 p-10 -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.561 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 48.9 m80 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.585 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 8' ' ' VAL . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 41' ' ' ILE . 22.0 p-10 -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.462 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 9.7 p90 . . . . . 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.866 HG11 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 29.9 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 HD23 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.866 HD21 HG11 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 13.2 p30 -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.611 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 74.0 m-85 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.868 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.512 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.5 p30 -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.597 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.635 ' HB2' HD21 ' A' ' 37' ' ' ASN . 9.9 t-105 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.584 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 5' ' ' SER . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.707 ' O ' HG13 ' A' ' 41' ' ' ILE . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.544 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 41' ' ' ILE . 28.8 p-10 -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.893 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.632 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.731 HD11 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.635 ' H ' HD13 ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 9.2 p30 -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.584 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.781 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.626 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.0 tp60 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG2' HD11 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.646 ' O ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HB3' HD22 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.868 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG23 ' HB2' ' A' ' 5' ' ' SER . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 22.6 m80 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 34' ' ' LEU . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 27.7 p-10 -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.587 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.977 0.418 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 27' ' ' LEU . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 26' ' ' GLU . 5.1 pp0? -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 41' ' ' ILE . 43.9 p-10 -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 tm0? -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.585 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.886 HG11 HD21 ' A' ' 36' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 HD23 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD23 HG21 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.886 HD21 HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.4 m80 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.724 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 . . . . . 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.515 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.583 HG21 HD23 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 33.1 p-10 -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG11 HD21 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.711 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.711 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.633 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 HG11 ' A' ' 8' ' ' VAL . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 41' ' ' ILE . 16.5 p30 -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.518 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 9.3 m80 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.683 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 8.6 p30 -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 41' ' ' ILE . 47.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.739 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 HD21 ' A' ' 36' ' ' LEU . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.569 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.872 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 41' ' ' ILE . 34.5 p-10 -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.637 HG23 HD22 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.823 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 HD21 ' A' ' 36' ' ' LEU . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD23 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.712 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 22' ' ' ILE . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 17.3 t-80 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG21 HG22 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 10.5 p30 -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CE2' HD23 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 43.6 m-85 . . . . . 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.512 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.545 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.639 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.639 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 22' ' ' ILE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' HG22 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 41' ' ' ILE . 33.8 p-10 -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HZ ' HD23 ' A' ' 27' ' ' LEU . 42.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.76 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.936 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 37.5 m80 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' OE1' HD11 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.62 ' HB3' HG22 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 41' ' ' ILE . 2.9 p30 -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' ' CD1' ' A' ' 4' ' ' TRP . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' HD3' ' A' ' 17' ' ' LYS . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 21' ' ' ARG . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' HG22 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' HG13 ' A' ' 41' ' ' ILE . 11.9 p30 -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 88.2 mm-40 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 7.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.582 ' O ' HG13 ' A' ' 41' ' ' ILE . 26.7 p-10 -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' A' ' 13' ' ' LYS . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 98.1 m-85 . . . . . 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.576 ' HB2' HG23 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.507 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 3.2 t-80 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 89.7 mm-40 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 8' ' ' VAL . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG13 ' A' ' 41' ' ' ILE . 14.5 p30 -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.587 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CD2' HD23 ' A' ' 12' ' ' LEU . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.87 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD23 HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 20.0 m80 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 83.5 mm-40 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 41' ' ' ILE . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' GLU . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 42' ' ' ARG . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 39.0 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CZ3' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.754 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' GLU . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.717 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.785 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.853 HG11 HD21 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' HG22 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 34' ' ' LEU . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 11.9 p30 -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.699 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.699 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' ILE . 19.7 p30 -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 11.3 m80 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' O ' HG13 ' A' ' 41' ' ' ILE . 16.7 p-10 -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 33.9 m80 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 29.3 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 22' ' ' ILE . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.8 p30 -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' CB ' ' HB3' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.528 ' O ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.57 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.593 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 HG23 HD12 ' A' ' 27' ' ' LEU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 63.8 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 51.7 m-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.809 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.809 HG23 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 44' ' ' PHE . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 HG21 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.3 pp0? -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.669 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD22 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' ILE . 2.0 p30 -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.703 HG12 HD22 ' A' ' 36' ' ' LEU . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 16' ' ' VAL . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.629 ' NZ ' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.726 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.726 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.6 p30 -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 37' ' ' ASN . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.676 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 74.9 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.838 HG23 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.684 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 11.4 p30 -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 7.4 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.887 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 82.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.642 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG21 HD23 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.809 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 41' ' ' ILE . 8.9 p30 -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 44.1 tp60 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -91.14 106.03 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.123 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.7 mt-30 -117.28 13.19 14.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.299 0.571 . . . . 0.0 110.016 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.715 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -172.99 -169.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.348 -175.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.659 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.659 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.647 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' O ' HG13 ' A' ' 41' ' ' ILE . 28.4 p-10 -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -83.03 -55.84 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -33.61 74.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 110.639 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 28.8 mt-10 -111.0 33.78 4.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.888 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.828 ' HD2' HE22 ' A' ' 50' ' ' GLN . 31.4 t80 -69.74 -76.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.091 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -155.33 12.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.206 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.828 HE22 ' HD2' ' A' ' 48' ' ' PHE . 14.1 mp0 -107.83 15.57 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 47' ' ' GLU . 17.9 mtt180 -51.27 135.86 25.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.921 -1.491 . . . . 0.0 112.16 -175.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.4 pttt . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.115 176.082 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.629 ' HD2' ' HG3' ' A' ' 6' ' ' GLU . 31.5 mtmt -55.21 123.16 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.303 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -133.1 16.31 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.079 0.466 . . . . 0.0 110.448 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.1 p90 -151.54 -166.97 2.66 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -175.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.666 ' HB2' HG23 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD21 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.033 HD21 HG11 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 87.5 m-85 -79.81 -54.59 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -71.01 -47.59 57.91 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.431 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 38.4 mt-10 -95.84 40.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.623 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HD2' ' HG2' ' A' ' 50' ' ' GLN . 11.8 t80 -72.15 177.76 4.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.353 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.95 5.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 85.6 mm-40 -89.13 -0.57 57.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.144 0.497 . . . . 0.0 110.436 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' NH1' ' HG2' ' A' ' 47' ' ' GLU . 93.8 mtt180 -91.6 -174.48 3.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.115 174.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.529 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.092 0.472 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -152.14 166.62 31.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.66 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.246 0.546 . . . . 0.0 109.554 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -178.54 3.43 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD23 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.835 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD21 HG11 ' A' ' 8' ' ' VAL . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 41' ' ' ILE . 20.3 p30 -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.835 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 -82.83 -65.42 1.01 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.6 -35.32 65.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.607 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 32.7 mt-10 -96.87 34.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -83.5 -170.72 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.0 -8.31 53.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.752 0.311 . . . . 0.0 111.169 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -92.49 -1.73 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.372 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 44.0 ttt180 -71.91 132.67 44.69 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.757 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.798 0.686 . . . . 0.0 110.741 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.934 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 24.4 ptp . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.934 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 22.7 mtpp -131.33 114.48 15.06 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.827 -0.546 . . . . 0.0 111.045 -176.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -131.33 -63.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.637 0.732 . . . . 0.0 109.997 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.76 -175.66 2.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.169 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' VAL . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 22' ' ' ILE . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.569 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.456 HG22 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 -92.77 -38.58 11.71 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 11.4 pt-20 -70.32 -41.69 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 0.0 110.66 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.1 mt-10 -109.34 36.01 3.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.576 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 61.2 t80 -74.37 -71.1 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.94 4.94 18.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.283 0.564 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -96.95 25.43 5.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -77.3 72.58 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.894 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.273 -176.366 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -69.79 152.43 44.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.188 0.449 . . . . 0.0 110.115 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -174.21 -51.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -171.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' HZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.99 163.59 14.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.753 175.082 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.815 HG11 HD21 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 85.4 mm-40 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.815 HD21 HG11 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.809 ' HA ' ' HB3' ' A' ' 47' ' ' GLU . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.03 -64.71 1.05 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.82 -48.23 11.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.592 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.809 ' HB3' ' HA ' ' A' ' 43' ' ' GLN . 27.4 tt0 -85.02 8.38 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.231 0.538 . . . . 0.0 110.653 -176.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 74.3 t80 -58.36 -72.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.476 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 14.6 pt-20 -135.22 -13.3 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.707 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -79.54 -24.89 41.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.992 0.425 . . . . 0.0 111.131 -174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.752 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 83.5 mtt180 -95.29 97.61 9.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.124 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.051 177.718 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 14.3 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' MET . 13.1 mptt 69.56 173.63 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.333 0.587 . . . . 0.0 111.244 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.22 -61.49 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.765 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.56 164.16 24.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.436 177.153 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' HD3' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.443 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.73 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -68.81 -38.94 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 6.3 tt0 -80.23 -47.34 14.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.713 -170.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.14 44.01 1.04 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.645 0.736 . . . . 0.0 110.283 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -65.26 161.19 19.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.551 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -15.75 61.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.888 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -76.73 -18.06 58.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.245 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 80.2 mtt180 -107.13 117.0 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.361 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.4 pttt . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.857 -178.124 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.829 0.347 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -94.73 101.72 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -131.04 -62.83 0.88 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.146 0.498 . . . . 0.0 110.129 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.946 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -123.84 174.63 7.41 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 35.6 p-10 -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.625 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.35 -61.38 1.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.6 -34.73 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.625 ' HB3' ' NE2' ' A' ' 43' ' ' GLN . 85.3 tt0 -133.05 61.15 1.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.597 0.713 . . . . 0.0 109.837 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 63.9 t80 -67.07 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.004 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 17.2 pt-20 170.71 -33.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.975 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.75 -19.69 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.235 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -73.59 97.56 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.348 0.594 . . . . 0.0 111.476 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.188 179.128 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 16.9 ptp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.8 mmtm -110.63 121.94 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.916 -0.49 . . . . 0.0 110.379 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 179.57 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.561 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -110.54 -176.92 3.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.748 172.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 48.9 m80 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.585 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 8' ' ' VAL . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 41' ' ' ILE . 22.0 p-10 -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -89.06 -48.97 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.44 -28.96 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.71 -0.62 57.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.394 0.616 . . . . 0.0 110.196 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -76.15 -158.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.022 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.41 -11.11 60.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.279 0.561 . . . . 0.0 110.309 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -83.25 23.54 0.88 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.376 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 57.4 mtt180 -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.416 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.207 -0.902 . . . . 0.0 109.689 -179.047 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.807 0.337 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -150.79 167.18 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.871 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.46 -50.74 6.34 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.462 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 9.7 p90 -151.64 168.06 26.18 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.866 HG11 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 29.9 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 HD23 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.866 HD21 HG11 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 13.2 p30 -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.611 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 74.0 m-85 -91.28 -41.27 11.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.34 -23.84 54.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.87 48.33 2.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.417 0.627 . . . . 0.0 110.393 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 24.5 t80 -75.9 -72.42 0.32 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.335 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 10.3 pt-20 -167.61 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -86.75 4.32 41.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -148.35 131.42 16.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.963 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' OXT' ' HG2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.919 174.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.75 140.88 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -123.7 -67.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.493 . . . . 0.0 110.639 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.868 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -87.43 167.15 14.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.336 177.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.12 -45.1 8.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.63 -27.87 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.324 0.583 . . . . 0.0 110.583 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -121.46 53.09 1.19 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.206 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -77.66 -73.09 0.32 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.168 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -161.65 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.55 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -101.69 -28.2 12.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.231 0.538 . . . . 0.0 109.606 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.98 119.03 23.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.235 171.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.029 -178.621 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.53 150.93 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.172 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.3 pm0 -130.97 19.96 4.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.736 -168.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -161.82 -171.22 2.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.505 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.5 p30 -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.597 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -79.98 -57.73 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 10.3 pt-20 -70.39 -46.36 64.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.704 -173.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 36.1 mt-10 -98.34 42.73 1.08 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.657 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.93 -55.98 15.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.84 -8.15 14.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.675 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -90.36 24.13 2.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.304 0.573 . . . . 0.0 110.926 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -81.34 55.69 2.66 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.846 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt . . . . . 0 C--O 1.252 1.194 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.201 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -160.99 116.34 2.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 16.6 mm-40 -116.62 132.81 56.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.635 ' HB2' HD21 ' A' ' 37' ' ' ASN . 9.9 t-105 66.66 15.37 10.1 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.584 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 5' ' ' SER . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.715 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.52 -46.06 8.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 10.5 pt-20 -73.38 -27.19 61.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 0.0 111.044 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -119.33 48.85 1.43 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.998 174.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.44 -75.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 175.49 -38.11 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -111.43 5.13 19.43 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.676 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.29 90.33 2.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.525 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.6 pttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.241 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.55 0.214 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 72.8 mmtt -102.85 -1.55 29.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.5 tp-100 170.45 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -175.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.84 -174.96 2.91 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.3 171.347 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 41' ' ' ILE . 28.8 p-10 -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -91.07 -70.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.03 -53.56 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -94.77 38.43 1.12 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.973 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 36.2 t80 -49.7 -70.29 0.09 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.248 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.626 ' HG3' ' HG2' ' A' ' 50' ' ' GLN . 15.1 pt-20 168.2 -30.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.957 0.786 . . . . 0.0 109.138 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 68.9 mm-40 -106.41 16.98 24.03 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.775 0.798 . . . . 0.0 109.034 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -146.2 127.53 14.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.133 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.055 0.847 . . . . 0.0 111.533 173.221 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -134.85 131.77 37.79 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -107.97 -4.82 17.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.576 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.893 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -177.53 -174.6 0.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -175.153 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.632 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.731 HD11 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.635 ' H ' HD13 ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 9.2 p30 -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.584 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 -80.05 -46.91 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.22 -38.54 60.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.38 0.61 . . . . 0.0 110.761 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.895 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 26.3 tt0 -110.53 44.26 1.28 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.443 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.31 164.98 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.686 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 12.2 pt-20 -61.37 -27.47 68.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.839 0.352 . . . . 0.0 111.527 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 71.6 mt-30 -103.65 -0.01 30.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.416 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -108.77 32.22 5.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.917 -175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.895 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 35.8 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.626 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.96 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.69 0.757 . . . . 0.0 109.042 -168.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -86.97 -42.87 12.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.296 -170.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -88.3 176.47 7.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.273 170.469 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.781 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.626 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.0 tp60 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG2' HD11 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.646 ' O ' HG12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.628 ' HB3' HD22 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.54 -60.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 42.0 tt0 -62.6 -45.75 91.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.75 0.66 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.157 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 19.4 t80 -88.53 -65.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.74 2.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.909 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.711 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 79.7 mm-40 -98.83 25.18 6.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.575 0.702 . . . . 0.0 109.82 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.88 131.76 45.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.091 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 52' ' ' LYS . 9.2 mtpm? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.351 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 24.8 ptm . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.474 0.178 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' MET . 4.2 mppt? 67.21 174.98 0.26 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.202 0.525 . . . . 0.0 110.442 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -124.19 14.04 9.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.73 0.776 . . . . 0.0 109.899 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -145.85 148.57 33.02 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.868 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG23 ' HB2' ' A' ' 5' ' ' SER . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 22.6 m80 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 34' ' ' LEU . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 27.7 p-10 -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.494 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.5 -48.59 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.63 -32.51 31.92 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -101.37 26.88 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.753 0.787 . . . . 0.0 109.932 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HD2' ' HG2' ' A' ' 50' ' ' GLN . 13.9 t80 -71.32 -176.45 1.49 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.057 173.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.95 15.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.164 0.507 . . . . 0.0 111.297 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.553 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 15.5 mm100 -107.56 18.5 21.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -76.11 145.25 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.142 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 6.5 mtmp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.403 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -124.61 127.07 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.016 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -125.53 -58.7 1.41 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.687 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.587 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.41 179.94 4.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.208 175.116 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 27' ' ' LEU . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HG3' ' HA ' ' A' ' 26' ' ' GLU . 5.1 pp0? -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 41' ' ' ILE . 43.9 p-10 -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 tm0? -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.4 -49.02 15.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.86 -39.39 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.136 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.11 23.13 5.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.498 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -62.91 160.36 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.056 0.455 . . . . 0.0 110.214 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.9 -16.21 60.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.23 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -100.12 -3.2 32.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -114.45 117.92 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.584 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.342 174.231 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' A' ' 4' ' ' TRP . 7.6 ptmm? -62.93 124.86 22.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.831 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -93.14 -38.59 11.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.585 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 -118.75 -166.61 1.26 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 166.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.886 HG11 HD21 ' A' ' 36' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 HD23 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD23 HG21 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.886 HD21 HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 21.0 m-85 -87.66 -56.91 3.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -59.36 -43.27 92.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.142 0.496 . . . . 0.0 111.38 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -107.55 42.28 1.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.567 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -70.98 -77.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.353 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.73 -67.1 0.49 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.599 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -123.7 9.31 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.848 -171.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' HD2' ' O ' ' A' ' 45' ' ' PHE . 76.9 mtt180 -75.09 138.58 42.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.051 0.453 . . . . 0.0 111.402 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.627 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -99.96 128.22 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.412 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.97 -74.28 0.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.511 0.672 . . . . 0.0 110.282 -174.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -177.71 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.4 m80 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.724 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . 7.2 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.81 -65.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.7 -58.87 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.45 -175.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.799 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 40.5 mt-10 -92.97 37.0 1.02 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.931 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 43.1 t80 -51.99 -68.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.475 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 9.2 pt-20 177.33 -33.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.144 0.497 . . . . 0.0 110.475 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -113.94 15.2 18.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.686 -174.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -132.09 104.06 6.6 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.943 -173.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.507 173.89 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.566 0.222 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -148.77 113.33 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.096 0.474 . . . . 0.0 111.786 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -152.0 154.58 36.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 168.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 -77.99 136.06 37.9 Favored 'General case' 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 -173.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.515 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.583 HG21 HD23 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 33.1 p-10 -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 -92.77 -33.24 14.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 17.8 tp10 -70.05 -59.81 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.902 -178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -96.85 40.29 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.403 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.62 167.6 16.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.706 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.74 -4.46 23.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.158 0.504 . . . . 0.0 111.728 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -82.63 -8.37 59.6 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.813 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -126.2 146.43 49.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.445 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 C--O 1.248 0.978 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.901 179.464 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 7.3 ptpp? -81.04 112.81 18.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.369 0.604 . . . . 0.0 109.74 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -110.48 -11.31 14.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.858 -176.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 179.79 168.24 1.2 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.607 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG11 HD21 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.711 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.711 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.633 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 HG11 ' A' ' 8' ' ' VAL . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' HG13 ' A' ' 41' ' ' ILE . 16.5 p30 -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.889 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.41 -40.81 10.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.889 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 7.4 pt-20 -67.08 -34.21 77.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.208 0.528 . . . . 0.0 110.634 -174.8 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 39.7 mt-10 -118.16 46.36 1.8 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.816 0.817 . . . . 0.0 109.802 176.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CE1' ' HE2' ' A' ' 17' ' ' LYS . 17.1 t80 -74.31 168.99 18.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.392 -178.728 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -11.15 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.467 -176.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -93.95 6.2 49.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.958 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -115.4 170.83 8.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.233 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.985 -169.127 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.743 0.306 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 11.69 38.92 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -169.181 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -149.71 -56.32 0.18 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.884 0.849 . . . . 0.0 110.051 -176.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.714 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -122.34 149.86 43.19 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.902 176.892 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 9.3 m80 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.683 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 8.6 p30 -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 47.8 m-85 -79.46 -54.25 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -73.33 -31.74 64.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.61 -0.436 . . . . 0.0 112.052 -172.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -110.19 36.13 3.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 8.3 t80 -44.78 -72.71 0.05 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 113.756 -1.566 . . . . 0.0 112.131 -174.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.7 pt-20 163.67 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.721 0.808 . . . . 0.0 108.894 -177.476 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 22.3 mt-30 -95.91 9.36 40.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.03 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -132.18 130.68 41.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.953 -177.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.234 -177.516 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.904 0.383 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -88.94 113.25 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 -177.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -128.43 -59.49 1.15 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 109.824 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.739 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -106.02 -173.2 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.378 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 HD21 ' A' ' 36' ' ' LEU . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.569 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.872 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 41' ' ' ILE . 34.5 p-10 -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.637 HG23 HD22 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -92.0 -39.88 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 51.0 mt-10 -69.44 -66.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -175.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.42 -15.25 63.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 -172.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 20.8 t80 -57.54 -46.7 83.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.273 -178.082 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.0 2.59 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.589 -174.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 57.8 mt-30 -90.41 11.14 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.704 0.764 . . . . 0.0 109.625 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 34.8 ptt180 -54.83 116.97 3.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.702 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 52' ' ' LYS . 40.4 mtmt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.409 178.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.078 0.466 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -173.34 2.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.394 -178.075 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.799 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 50.8 tp60 -161.15 -53.79 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 145.21 52.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.637 164.557 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.823 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 HD21 ' A' ' 36' ' ' LEU . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD23 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.712 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 22' ' ' ILE . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 17.3 t-80 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG21 HG22 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.635 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CE2' HD23 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 43.6 m-85 -88.11 -62.06 1.58 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.6 pt-20 -81.8 -50.63 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -170.352 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 34.0 tt0 -67.64 -20.82 65.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.963 0.411 . . . . 0.0 110.563 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 13.0 t80 -51.09 -60.63 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.01 178.562 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 12.6 pt-20 -72.21 -8.67 56.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.305 -176.07 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 79.5 mt-30 -89.73 -5.56 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -176.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 51' ' ' ARG . 35.9 mtt180 -91.6 100.72 13.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.094 -177.049 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 49' ' ' GLU . 69.9 mmtt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.725 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 15.0 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -126.59 121.19 31.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.048 175.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.23 9.13 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.941 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.512 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -161.14 -164.05 1.11 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.428 -175.146 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.545 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.639 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 22' ' ' ILE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' HG22 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 41' ' ' ILE . 33.8 p-10 -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HZ ' HD23 ' A' ' 27' ' ' LEU . 42.0 m-85 -80.42 -43.41 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -71.58 -57.92 3.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.942 0.401 . . . . 0.0 111.776 -172.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 49.2 mt-10 -84.45 23.34 1.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.291 -174.398 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 32.7 t80 -82.98 -30.32 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 -177.12 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.1 -29.98 58.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.6 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -104.64 17.41 24.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.709 -174.323 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.08 41.77 3.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.873 0.368 . . . . 0.0 111.05 -178.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.549 175.05 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.536 0.208 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -103.15 -33.37 9.24 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.432 -173.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 12.5 mt-30 -163.65 -56.89 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.192 -175.262 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -99.35 174.22 6.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 179.177 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.76 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.936 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 37.5 m80 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' OE1' HD11 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.62 ' HB3' HG22 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 41' ' ' ILE . 2.9 p30 -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 3' ' ' GLN . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -81.74 -50.29 9.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.5 pt-20 -71.3 -37.96 71.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.446 . . . . 0.0 111.725 -174.493 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 -16.44 60.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 177.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -79.66 -70.01 0.54 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 170.827 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 19.6 tt0 33.0 47.05 0.1 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.147 1.379 . . . . 0.0 112.351 176.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 13.0 pt20 44.56 27.52 0.25 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.604 1.19 . . . . 0.0 112.61 178.744 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.56 104.46 7.08 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.496 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 3.6 ptmm? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.413 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 61.15 70.47 0.61 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.577 -172.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.687 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 9.3 tp-100 -91.13 -35.89 14.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.193 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -84.99 177.12 8.05 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.782 164.648 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' HD3' ' A' ' 17' ' ' LYS . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 21' ' ' ARG . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' HG22 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' HG13 ' A' ' 41' ' ' ILE . 11.9 p30 -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.687 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 16.2 mm100 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 7.3 m-85 -94.09 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mt-10 -79.79 -17.86 52.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.682 -166.261 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -98.24 -5.68 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.262 0.553 . . . . 0.0 110.26 175.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 3.0 t80 -75.54 -62.99 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.375 0.607 . . . . 0.0 111.121 -174.609 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 51' ' ' ARG . 9.1 pt-20 -169.33 -24.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.824 -173.657 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.86 33.54 0.27 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.446 0.641 . . . . 0.0 109.35 172.563 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 49' ' ' GLU . 84.2 mtt180 -66.56 98.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.139 -177.248 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.068 178.574 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 127.67 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.602 ' HG3' ' H ' ' A' ' 4' ' ' TRP . 22.7 pt20 -144.14 -55.03 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.049 0.452 . . . . 0.0 110.366 -174.032 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.602 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -98.1 171.47 8.23 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 167.711 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.582 ' O ' HG13 ' A' ' 41' ' ' ILE . 26.7 p-10 -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 98.1 m-85 -92.54 -55.37 3.42 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 13.5 pt-20 -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.673 -170.277 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.645 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 14.6 mt-10 -96.59 15.49 21.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.824 0.345 . . . . 0.0 111.731 -177.46 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -90.03 -66.38 0.93 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.178 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.51 3.52 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.843 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 91.3 mm-40 -98.75 13.54 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.732 0.777 . . . . 0.0 109.539 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.645 ' HG3' ' HA ' ' A' ' 47' ' ' GLU . 76.4 mtt180 -73.59 122.94 23.05 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.145 176.27 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.91 -177.771 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG2' ' H ' ' A' ' 3' ' ' GLN . 57.2 ttp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -91.23 20.5 5.05 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 1' ' ' MET . 36.5 mt-30 -108.97 143.38 38.32 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.65 151.06 1.23 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 168.551 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.576 ' HB2' HG23 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 3.2 t-80 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 89.7 mm-40 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 8' ' ' VAL . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' HG13 ' A' ' 41' ' ' ILE . 14.5 p30 -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.587 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 -71.43 -66.1 0.67 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 49.7 mt-10 -81.87 -9.65 59.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.913 -170.607 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLN . 44.9 mt-10 -118.04 26.76 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.203 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 4.9 t80 -76.49 170.92 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.373 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.14 -3.79 14.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.781 -178.019 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.56 -8.06 51.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 48.0 ttt180 -73.27 125.56 28.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.967 0.413 . . . . 0.0 110.666 -179.397 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp 60.05 26.91 16.27 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 168.62 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -148.51 -55.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.214 0.53 . . . . 0.0 109.927 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.87 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -137.45 166.11 24.64 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.243 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD23 HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 20.0 m80 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 83.5 mm-40 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 41' ' ' ILE . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' GLU . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 42' ' ' ARG . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 39.0 m-85 -93.21 -52.92 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -67.34 -59.41 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.198 -171.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.791 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 30.5 tt0 -94.62 33.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 -174.163 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 5.3 t80 -90.22 -174.16 4.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.159 -179.56 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 16.1 pt-20 -58.32 -18.59 28.39 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 175.403 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -67.71 -25.19 65.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.196 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 12.4 ttt180 -72.15 123.44 22.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -175.009 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 C--O 1.249 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 112.456 178.631 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -77.38 155.19 32.05 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -128.03 -76.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.052 0.454 . . . . 0.0 110.792 -172.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CZ3' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -97.0 -173.78 2.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.097 179.143 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.754 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' GLU . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.757 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -75.57 -41.42 54.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.757 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.0 pt-20 -69.55 -51.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.067 -176.323 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.667 -178.43 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -53.38 -49.25 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.688 -175.014 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.51 -19.05 31.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 52.4 mt-30 -78.43 -46.26 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.124 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 36.94 82.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.412 -1.267 . . . . 0.0 114.042 173.664 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.229 175.455 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -68.73 137.36 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.214 0.53 . . . . 0.0 111.05 -178.895 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -140.55 -50.83 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.779 177.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.717 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 -148.64 168.17 23.53 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 171.211 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.785 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.853 HG11 HD21 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' HG22 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 34' ' ' LEU . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 11.9 p30 -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' OE2' ' A' ' 46' ' ' GLU . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 73.1 m-85 -94.27 -67.68 0.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' OE2' ' HB3' ' A' ' 42' ' ' ARG . 5.2 pt-20 -70.31 -40.41 74.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -166.146 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 37.7 tt0 -138.14 66.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.672 0.749 . . . . 0.0 109.779 -176.577 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.671 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 43.7 t80 -62.46 -60.76 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.634 -179.298 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.9 pt-20 175.52 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.782 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.705 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 72.7 mt-30 -99.38 -36.15 9.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.38 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 29.3 mtt180 -82.73 121.9 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 168.246 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.182 -179.344 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 56.9 tpp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 1' ' ' MET . 5.5 mptp? -96.84 100.72 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -137.43 -69.92 0.45 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.11 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -79.24 -176.93 5.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.43 175.233 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.699 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -93.54 -62.05 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 48' ' ' PHE . 23.1 tt0 -78.11 -71.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.243 -171.272 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 27.7 mm-40 -76.52 20.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.61 0.719 . . . . 0.0 111.991 -173.107 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 17' ' ' LYS . 24.9 t80 -89.98 -48.14 7.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.021 -179.415 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 9.5 pt-20 -172.51 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.761 -179.069 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.687 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 85.3 mt-30 -91.44 37.6 0.95 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.585 0.707 . . . . 0.0 110.01 -176.522 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 47' ' ' GLU . 24.2 ptt180 -89.47 154.34 20.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.076 -176.682 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 C--O 1.247 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 112.639 178.285 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -94.5 106.46 18.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.85 -178.172 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' A' ' 3' ' ' GLN . 1.3 mp0 -101.41 -51.94 3.36 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.525 0.679 . . . . 0.0 109.586 179.072 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -78.7 175.1 10.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.809 172.802 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 11.3 m80 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' O ' HG13 ' A' ' 41' ' ' ILE . 16.7 p-10 -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.59 -45.16 80.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.25 -38.8 88.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.721 -172.425 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.55 -2.08 58.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.65 -177.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 6.6 m-85 -92.08 -88.85 0.19 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 163.831 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 35.64 40.4 0.08 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.393 1.077 . . . . 0.0 110.96 -171.937 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 38.27 38.83 0.24 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 124.233 0.958 . . . . 0.0 112.264 179.835 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 48' ' ' PHE . 1.1 ptp180 -106.76 158.19 17.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.223 -177.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.105 175.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.736 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 17.4 tpt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.736 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 65.0 mttm -127.05 113.63 16.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.266 -179.789 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 14.7 mm100 -111.34 11.28 21.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.835 0.826 . . . . 0.0 108.806 179.164 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -163.82 -170.74 2.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.166 -171.566 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.621 ' HE3' ' HE2' ' A' ' 48' ' ' PHE . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 33.9 m80 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 29.3 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 22' ' ' ILE . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.8 p30 -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' CB ' ' HB3' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.02 -42.12 94.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 28.7 tt0 -82.04 -55.5 4.53 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.748 -175.66 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.8 33.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.593 0.711 . . . . 0.0 110.22 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 20.7 t80 -73.13 -63.63 1.14 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.314 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 11.9 pt-20 -176.88 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.682 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.64 25.59 10.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -168.662 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 32.2 ptt180 -85.06 176.57 8.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.444 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 mtpt . . . . . 0 C--O 1.253 1.283 0 O-C-N 124.074 0.858 . . . . 0.0 110.084 -172.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.001 0.429 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -110.06 124.78 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.432 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB3' ' OE1' ' A' ' 39' ' ' GLU . 17.5 mm100 -114.53 16.0 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 0.0 110.673 -169.104 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.528 ' HE3' ' O ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.87 -167.97 1.5 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.104 -178.933 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.57 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 3' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.73 -47.19 15.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 23.9 mt-10 -79.16 -19.61 50.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -113.73 32.0 6.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.712 0.768 . . . . 0.0 109.865 177.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -75.0 162.94 28.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.959 178.71 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.39 -21.35 62.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.901 -173.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -86.45 -27.4 24.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -177.127 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 46' ' ' GLU . 34.8 ttt180 -79.08 136.08 37.05 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.065 0.459 . . . . 0.0 111.238 -175.595 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.732 177.794 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.577 0.227 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -62.54 120.49 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.364 175.647 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.432 ' HB2' HD22 ' A' ' 37' ' ' ASN . 12.0 pt20 -175.95 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.951 0.405 . . . . 0.0 110.579 -179.615 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.2 -170.44 2.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.626 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.593 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 HG23 HD12 ' A' ' 27' ' ' LEU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 63.8 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.432 HD22 ' HB2' ' A' ' 3' ' ' GLN . 12.8 p30 -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 51.7 m-85 -89.92 -43.31 10.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.59 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 19.2 tt0 -70.5 -67.99 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.127 -174.682 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 46' ' ' GLU . 30.4 mt-10 -94.22 43.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.485 0.66 . . . . 0.0 110.892 -173.038 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.91 -132.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.441 172.774 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -78.21 -4.24 46.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.669 -0.644 . . . . 0.0 110.439 172.181 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -87.13 36.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -176.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HE ' ' HB2' ' A' ' 51' ' ' ARG . 15.3 mtm180 -99.06 -172.61 2.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.05 179.236 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 pttt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.69 172.739 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -97.0 145.99 25.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -124.09 -78.85 0.6 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.422 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.71 ' H ' ' HD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.28 154.52 20.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.843 175.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.809 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.809 HG23 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 44' ' ' PHE . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HA ' ' HZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 HG21 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.3 pp0? -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.669 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD22 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' HB3' HD22 ' A' ' 37' ' ' ASN . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.703 HG12 HD22 ' A' ' 36' ' ' LEU . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -80.55 -63.14 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.28 -41.12 77.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.526 0.679 . . . . 0.0 111.198 -172.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' ' HG3' ' A' ' 51' ' ' ARG . 27.0 tt0 -100.13 17.93 19.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.655 -173.76 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.723 ' HZ ' ' HA ' ' A' ' 17' ' ' LYS . 49.4 t80 -49.59 -44.7 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.051 -178.317 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -124.23 11.24 8.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.697 -174.402 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -105.07 17.29 24.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -176.676 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.634 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 50.9 mtt180 -88.05 105.99 17.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.479 -177.106 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -65.81 122.41 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.417 0.627 . . . . 0.0 110.622 -178.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' HG3' ' HG2' ' A' ' 39' ' ' GLU . 78.3 mm-40 -109.54 -52.46 2.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.018 -178.627 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -65.37 156.3 32.65 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.601 166.553 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.629 ' NZ ' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.726 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.726 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 41' ' ' ILE . 10.6 p30 -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 37' ' ' ASN . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 -74.08 -56.67 4.65 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.86 -28.82 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.348 . . . . 0.0 111.665 -170.715 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 43' ' ' GLN . 35.4 tt0 -76.28 -13.71 60.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 111.044 -178.318 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.92 153.67 42.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.295 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 -6.46 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.23 178.336 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.419 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -66.02 165.2 13.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 178.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.82 178.052 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.734 0.302 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -79.83 84.22 5.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.803 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -101.01 -54.75 2.73 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -103.66 -179.48 3.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.945 169.489 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.676 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 74.9 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -84.56 -43.19 14.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 42' ' ' ARG . 9.5 pt-20 -65.92 -37.47 86.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.278 0.561 . . . . 0.0 110.119 -176.153 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.01 42.11 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.498 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -73.48 170.73 14.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.124 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.18 -19.87 65.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.704 -176.23 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -82.94 0.3 45.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.689 -173.158 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 92.9 mtt180 -121.44 5.47 10.15 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.132 0.492 . . . . 0.0 111.061 178.188 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 42.6 mttm . . . . . 0 C--O 1.246 0.882 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.523 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.644 0.259 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -137.41 117.47 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.366 0.603 . . . . 0.0 112.099 -174.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.533 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 6.6 tp-100 -153.69 33.87 0.45 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.396 1.093 . . . . 0.0 108.369 169.818 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -167.07 161.78 15.0 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.113 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.838 HG23 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.684 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.53 ' OD1' ' HB3' ' A' ' 39' ' ' GLU . 11.4 p30 -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 3' ' ' GLN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 7.4 m-85 -92.19 -51.17 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 45.1 mt-10 -82.71 -30.9 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -173.489 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -116.34 39.4 3.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 110.498 -175.263 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -74.02 159.74 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.662 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.17 -24.69 54.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.491 -173.565 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -82.99 -19.53 36.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 179.156 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 70.2 ttt180 -101.91 107.36 18.5 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -172.637 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.648 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 56.7 pttt -70.25 124.66 24.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.235 0.54 . . . . 0.0 109.631 175.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.772 HE21 ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -123.77 -52.55 1.79 Allowed 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.166 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -87.33 -177.9 6.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.92 165.861 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.887 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 82.2 m-85 -93.4 -68.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 45.4 mt-10 -74.68 -52.18 12.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.867 -171.218 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -81.64 18.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.499 -175.768 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -89.14 -65.23 1.04 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.113 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -150.22 -27.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.862 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -80.5 37.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.497 0.665 . . . . 0.0 110.345 179.588 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 34.5 mtt180 -79.93 94.23 5.84 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.738 -174.91 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.037 -179.298 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.772 0.32 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.2 165.49 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.027 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.18 -57.47 1.59 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -175.5 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -106.53 176.36 5.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.456 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.642 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG21 HD23 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.809 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 41' ' ' ILE . 8.9 p30 -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 44.1 tp60 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.96 -55.52 5.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -83.17 -31.04 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -173.13 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.4 37.48 2.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.879 0.847 . . . . 0.0 110.059 179.26 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 8.2 t80 -62.26 172.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.06 171.819 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.04 -27.23 68.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.86 -0.525 . . . . 0.0 110.967 -179.673 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -70.32 -45.94 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.559 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 15.5 mtt180 60.24 -163.59 0.24 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 170.356 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.706 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.715 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.659 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.659 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.647 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 12' ' ' LEU . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.1 p90 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.666 ' HB2' HG23 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD21 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.854 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.033 HD21 HG11 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 87.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD23 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.835 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 HD21 HG11 ' A' ' 8' ' ' VAL . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.835 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' VAL . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 22' ' ' ILE . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.569 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.456 HG22 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.709 ' HZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.515 0.198 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.815 HG11 HD21 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 4.3 t60 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 15.0 mm100 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.815 HD21 HG11 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.765 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.494 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' HD3' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.443 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.73 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.946 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.917 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.946 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.535 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.561 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 31.8 m-70 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.585 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 8' ' ' VAL . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.462 ' HB3' HD21 ' A' ' 37' ' ' ASN . 9.7 p90 . . . . . 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.866 HG11 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.611 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 HD23 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.866 HD21 HG11 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.566 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.611 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 74.0 m-85 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.868 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.512 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.444 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.597 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.635 ' HB2' HD21 ' A' ' 37' ' ' ASN . 9.9 t-105 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.584 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 5' ' ' SER . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.707 ' O ' HG13 ' A' ' 41' ' ' ILE . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.544 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.893 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.632 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.731 HD11 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.635 ' H ' HD13 ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.63 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.584 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.781 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.626 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 5.7 tp-100 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG2' HD11 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 29' ' ' GLN . 2.1 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.681 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.661 ' HB3' HD21 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.868 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.868 HG23 ' HB2' ' A' ' 5' ' ' SER . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 12.6 m-70 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 34' ' ' LEU . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.587 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 120.977 0.418 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 27' ' ' LEU . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.458 HE21 ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.585 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.886 HG11 HD21 ' A' ' 36' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 HD23 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD23 HG21 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.683 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.886 HD21 HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD12 HD22 ' A' ' 37' ' ' ASN . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.7 m-70 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.724 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 43' ' ' GLN . 7.2 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 . . . . . 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.515 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.583 HG21 HD23 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.586 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.659 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG11 HD21 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.711 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.711 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.633 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 HG11 ' A' ' 8' ' ' VAL . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.503 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.518 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.0 m-70 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.683 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 41' ' ' ILE . 47.8 m-85 . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.739 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 HD21 ' A' ' 36' ' ' LEU . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.569 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.872 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.637 HG23 HD22 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.1 OUTLIER -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.823 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 HD21 ' A' ' 36' ' ' LEU . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.605 HD23 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.712 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 22' ' ' ILE . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.662 ' HD2' ' HB2' ' A' ' 21' ' ' ARG . 2.2 t60 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 19' ' ' HIS . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG21 HG22 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.635 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.635 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CE2' HD23 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 43.6 m-85 . . . . . 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.512 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.545 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.639 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.639 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 22' ' ' ILE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' HG22 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HZ ' HD23 ' A' ' 27' ' ' LEU . 42.0 m-85 . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.76 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.936 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 24.4 m-70 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' OE1' HD11 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.62 ' HB3' HG22 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 37' ' ' ASN . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.576 ' HB1' ' CD1' ' A' ' 4' ' ' TRP . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' HD3' ' A' ' 17' ' ' LYS . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 21' ' ' ARG . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' HG22 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 16.2 mm100 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 7.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.45 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.582 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' HE2' ' HB2' ' A' ' 13' ' ' LYS . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 98.1 m-85 . . . . . 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.576 ' HB2' HG23 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.507 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 2.0 t60 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.512 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 17.1 mm100 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 8' ' ' VAL . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.587 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CD2' HD23 ' A' ' 12' ' ' LEU . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.87 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' A' ' 7' ' ' ASN . 8.6 m120 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD23 HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 8.7 m-70 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.7 mm100 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 41' ' ' ILE . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' GLU . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 42' ' ' ARG . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 39.0 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CZ3' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.292 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.754 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' GLU . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.572 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.717 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.785 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.853 HG11 HD21 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' HG22 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 34' ' ' LEU . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.621 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 110.43 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.699 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.699 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.6 m-70 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 17.9 m-70 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 22' ' ' ILE . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' CB ' ' HB3' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.528 ' HE3' ' O ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.57 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.593 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 HG23 HD12 ' A' ' 27' ' ' LEU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 9.4 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.432 HD22 ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 51.7 m-85 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CE2' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.809 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.809 HG23 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 44' ' ' PHE . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 HG21 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.669 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD22 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' HB3' HD22 ' A' ' 37' ' ' ASN . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.703 HG12 HD22 ' A' ' 36' ' ' LEU . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HE2' ' HB ' ' A' ' 16' ' ' VAL . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.86 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.629 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 20' ' ' GLN . 2.8 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.726 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.726 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 37' ' ' ASN . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.676 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 23.5 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.838 HG23 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.684 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.68 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.68 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 7.4 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.887 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.803 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 82.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.642 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG21 HD23 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.697 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.809 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 7.0 tp-100 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.919 0.39 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -91.14 106.03 18.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.123 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 44.7 mt-30 -117.28 13.19 14.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.299 0.571 . . . . 0.0 110.016 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.715 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -172.99 -169.77 0.59 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.348 -175.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.659 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.2 m -89.47 117.68 28.56 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 167.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -34.31 -59.04 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.039 0.837 . . . . 0.0 113.201 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -74.55 -14.36 60.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.965 -172.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.659 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 77.1 t -75.02 -46.28 40.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -52.26 -45.13 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.541 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.91 -49.8 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.654 176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 59.0 mttp -84.28 -7.73 59.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -171.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 8' ' ' VAL . 3.7 mm? -71.23 -38.74 71.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 168.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.76 -41.73 87.26 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.376 0.608 . . . . 0.0 109.401 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 8.6 mm-40 -60.02 -43.19 95.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.051 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -87.4 -33.91 18.94 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 58.1 t -83.32 -61.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 120.774 0.321 . . . . 0.0 111.534 -178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -83.55 -43.59 15.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 0.0 111.833 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 61.2 ttt180 -75.48 -13.42 60.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.767 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.647 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.5 m80 -104.71 -161.52 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -84.19 20.66 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 43.4 ttm180 70.33 145.82 0.06 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.185 -177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.4 tt -126.16 143.7 38.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.94 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.9 p -67.03 150.97 48.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.93 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -63.21 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.491 -173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -64.87 -50.39 66.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.654 0.264 . . . . 0.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -67.31 -37.38 83.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.226 0.536 . . . . 0.0 109.75 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.63 -46.15 81.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.401 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -63.23 -36.66 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.733 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -67.35 -44.5 78.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 109.843 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.27 -31.09 71.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.229 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.03 -52.73 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.733 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.5 -12.03 59.97 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.699 -175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -71.44 -49.54 40.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.473 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.2 mt -80.31 -23.74 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.826 -176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.14 38.78 0.67 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.173 -1.013 . . . . 0.0 113.324 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 40.2 mt -94.44 176.78 6.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.934 0.874 . . . . 0.0 111.126 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -149.71 154.18 38.13 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.21 177.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 38' ' ' GLU . 1.7 mp0 -52.97 -28.16 22.43 Favored 'General case' 0 C--N 1.317 -0.832 0 O-C-N 123.692 0.62 . . . . 0.0 112.331 -172.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.59 -54.42 46.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.334 0.588 . . . . 0.0 110.343 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.03 -31.15 71.5 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.522 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.4 mt -67.41 -43.34 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.59 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -64.3 -46.62 82.83 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -51.53 -47.23 63.42 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.527 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 19.9 t80 -66.02 -31.73 72.79 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.559 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -83.03 -55.84 4.14 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.03 -33.61 74.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.323 0.582 . . . . 0.0 110.639 -173.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 28.8 mt-10 -111.0 33.78 4.4 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.888 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.828 ' HD2' HE22 ' A' ' 50' ' ' GLN . 31.4 t80 -69.74 -76.27 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.091 177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -155.33 12.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.163 0.506 . . . . 0.0 110.206 173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.828 HE22 ' HD2' ' A' ' 48' ' ' PHE . 14.1 mp0 -107.83 15.57 24.38 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 47' ' ' GLU . 17.9 mtt180 -51.27 135.86 25.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 113.921 -1.491 . . . . 0.0 112.16 -175.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.4 pttt . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.115 176.082 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.629 ' HD2' ' HG3' ' A' ' 6' ' ' GLU . 31.5 mtmt -55.21 123.16 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.303 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -133.1 16.31 4.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.079 0.466 . . . . 0.0 110.448 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CD2' ' HB2' ' A' ' 40' ' ' ALA . 1.1 p90 -151.54 -166.97 2.66 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 -175.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.666 ' HB2' HG23 ' A' ' 8' ' ' VAL . 21.9 m -57.17 107.69 0.44 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 31.0 tt0 -41.56 -45.46 3.31 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.203 0.601 . . . . 0.0 111.85 177.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -57.85 -22.97 50.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.383 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD21 ' A' ' 36' ' ' LEU . 29.6 t -73.25 -49.88 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.748 -176.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -53.54 -47.24 70.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.073 0.463 . . . . 0.0 110.426 -176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 30.7 tt0 -68.63 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.481 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -68.81 -37.65 79.38 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -167.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.06 -41.09 95.44 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 5.5 tmmm? -57.91 -45.51 86.37 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 58.1 mt-10 -70.93 -29.04 64.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 35.3 t80 -77.5 -25.41 50.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.703 -177.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.1 t -90.67 -41.19 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.719 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -83.91 -58.03 2.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.116 0.484 . . . . 0.0 111.957 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -94.72 19.28 10.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.247 -170.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.2 m80 -140.06 -135.99 0.12 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.213 0.53 . . . . 0.0 111.521 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.1 mm100 -69.57 -18.0 63.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.917 -170.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 56.64 68.52 0.85 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -169.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.1 tt -76.81 149.6 6.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.985 -169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -86.38 162.88 17.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.505 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -55.52 -45.27 77.13 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -171.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -58.77 6.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.487 . . . . 0.0 111.157 -175.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.8 -23.75 60.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.789 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.7 tt -66.71 -44.54 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.961 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.5 -37.1 86.35 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.854 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.16 -42.41 94.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 109.874 175.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.401 ' CE2' HD11 ' A' ' 34' ' ' LEU . 38.5 t80 -74.16 -17.12 60.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.209 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 36' ' ' LEU . . . -74.91 -51.61 13.36 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.394 -177.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -60.84 -34.2 74.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 108.841 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -61.28 -34.18 74.77 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.826 -1.533 . . . . 0.0 111.738 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 30' ' ' TYR . 66.8 mt -91.77 4.51 52.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.86 36.14 42.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.88 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.033 HD21 HG11 ' A' ' 8' ' ' VAL . 6.6 mt -87.21 141.09 28.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 122.224 1.012 . . . . 0.0 113.314 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -92.73 152.75 19.32 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.475 -1.693 . . . . 0.0 108.598 167.51 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' ILE . 20.3 tt0 -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -175.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 0.3 OUTLIER -52.54 -50.04 63.67 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.057 177.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -86.53 -28.54 23.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.4 mt -59.23 -54.42 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.227 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -72.18 -31.36 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 16.4 tt0 -60.9 -43.29 98.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.435 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -57.25 -35.24 69.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.826 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 87.5 m-85 -79.81 -54.59 5.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.933 -176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -71.01 -47.59 57.91 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.431 -175.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 38.4 mt-10 -95.84 40.41 1.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.623 -176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' HD2' ' HG2' ' A' ' 50' ' ' GLN . 11.8 t80 -72.15 177.76 4.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.353 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.95 5.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 15.0 mm100 -89.13 -0.57 57.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.144 0.497 . . . . 0.0 110.436 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' NH1' ' HG2' ' A' ' 47' ' ' GLU . 93.8 mtt180 -91.6 -174.48 3.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.115 174.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.529 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.9 mmm . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.092 0.472 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -152.14 166.62 31.13 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -168.66 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.246 0.546 . . . . 0.0 109.554 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -178.54 3.43 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.824 172.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' VAL . 46.2 m -90.55 126.95 36.1 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 168.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -46.23 -46.18 17.52 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.531 0.519 . . . . 0.0 111.504 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -57.04 -46.15 82.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.023 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG23 ' HB2' ' A' ' 5' ' ' SER . 58.7 t -63.53 -46.09 95.99 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.533 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.284 -175.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.03 -47.26 78.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.39 0.431 . . . . 0.0 110.121 -177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -53.54 -56.15 19.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.442 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.42 -30.97 62.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.633 -172.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.8 -40.59 95.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 6.0 tmmm? -61.44 -32.14 72.11 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.008 176.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 41.1 mt-10 -75.53 -28.23 59.0 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.711 0.291 . . . . 0.0 111.173 178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.469 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 39.2 t80 -92.49 -23.13 19.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.907 0.384 . . . . 0.0 111.495 -176.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.13 -64.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.641 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 34.2 tptt -64.23 -45.91 86.14 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.552 -176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 76.4 mtp180 -92.11 24.62 3.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.802 0.334 . . . . 0.0 111.757 -174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 6.8 m80 -136.1 -164.36 1.54 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.16 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -90.01 19.32 5.0 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? 67.09 178.76 0.23 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.119 -176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' HD23 ' A' ' 27' ' ' LEU . 18.8 tt -154.89 150.35 11.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.461 -0.2 . . . . 0.0 110.461 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 p -64.04 153.91 35.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -62.43 -33.2 74.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -57.52 -57.1 14.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.4 mm-40 -72.06 -26.72 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.974 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.835 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 2.3 tm? -62.66 -52.57 62.8 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -63.12 -37.93 89.17 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.714 0.292 . . . . 0.0 110.44 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.169 0.509 . . . . 0.0 109.807 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 28.1 t80 -77.28 -16.16 59.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.458 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -81.11 -52.39 7.43 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 110.066 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.51 -13.59 61.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.103 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -78.45 -25.64 45.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.687 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 68.0 mt -105.28 -23.56 12.85 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.65 40.17 0.63 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.016 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 HD21 HG11 ' A' ' 8' ' ' VAL . 53.2 mt -107.81 133.87 51.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.043 0.449 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -97.41 161.52 13.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 169.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 41' ' ' ILE . 31.1 mt-10 -58.34 -26.47 63.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -173.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.45 -53.7 50.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.292 0.567 . . . . 0.0 110.593 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -31.34 68.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.699 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 37' ' ' ASN . 49.0 mt -64.4 -51.1 72.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.97 0.414 . . . . 0.0 110.044 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -58.65 -46.31 87.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.448 0.642 . . . . 0.0 110.567 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.07 -14.18 60.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.582 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -87.91 -36.32 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.344 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.835 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 22.3 m-85 -82.83 -65.42 1.01 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.945 0.403 . . . . 0.0 111.765 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.6 -35.32 65.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.607 -172.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 32.7 mt-10 -96.87 34.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.136 0.493 . . . . 0.0 111.115 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -83.5 -170.72 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -72.0 -8.31 53.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.752 0.311 . . . . 0.0 111.169 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -92.49 -1.73 56.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.372 -176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.692 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 44.0 ttt180 -71.91 132.67 44.69 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.757 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt . . . . . 0 C--O 1.249 1.067 0 O-C-N 123.798 0.686 . . . . 0.0 110.741 -179.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.934 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 24.4 ptp . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.934 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 22.7 mtpp -131.33 114.48 15.06 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 121.827 -0.546 . . . . 0.0 111.045 -176.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -131.33 -63.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.637 0.732 . . . . 0.0 109.997 176.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.76 -175.66 2.86 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.169 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.646 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 49.3 m -75.9 128.44 35.1 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -37.11 -52.59 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -79.27 -16.37 56.54 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 50.9 t -71.06 -35.27 58.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.466 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -45.88 -50.95 13.87 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.609 0.568 . . . . 0.0 110.589 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.8 tt0 -66.01 -57.96 6.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.718 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 3.8 ttmp? -65.19 -29.76 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.828 -172.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' VAL . 21.9 tp -63.55 -49.95 71.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 35.8 ttpt -56.9 -37.11 70.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.613 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 42.2 mt-10 -64.63 -43.68 92.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.237 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 62.3 t80 -84.11 -18.89 35.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 111.39 -175.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 22' ' ' ILE . 97.8 t -90.14 -70.24 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.83 0.348 . . . . 0.0 111.199 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -79.58 -30.3 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.91 0.386 . . . . 0.0 111.32 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 77.5 mtt180 -95.7 9.96 38.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.852 0.358 . . . . 0.0 111.832 -176.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.569 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 26.2 m80 -129.19 57.15 1.65 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.35 174.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.436 ' HG3' ' C ' ' A' ' 19' ' ' HIS . 4.4 pp0? 46.77 22.99 0.21 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.542 1.137 . . . . 0.0 113.991 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 83.8 mtm180 75.71 165.4 0.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.785 0.834 . . . . 0.0 112.214 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.456 HG22 HG13 ' A' ' 16' ' ' VAL . 19.1 tt -147.6 153.15 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.785 -169.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.8 p -82.62 159.68 22.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -66.55 -26.51 67.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.133 0.492 . . . . 0.0 109.896 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.49 -62.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.36 -0.837 . . . . 0.0 110.248 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.66 -32.97 74.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.111 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 3.3 tm? -57.91 -52.06 67.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -67.33 -34.51 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.745 -175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.26 -42.34 96.52 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.331 0.586 . . . . 0.0 109.819 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.59 -20.62 60.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.554 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.66 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.59 -49.26 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.186 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.77 -25.2 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.225 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -64.38 -46.46 83.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.883 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 8' ' ' VAL . 28.7 mt -87.94 -29.41 20.83 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.59 39.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.043 -1.075 . . . . 0.0 112.869 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 91.8 mt -97.43 131.09 44.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.403 0.62 . . . . 0.0 111.387 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.37 158.45 15.57 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 167.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -51.75 -31.97 28.83 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -52.63 -48.81 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.426 0.631 . . . . 0.0 111.117 175.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.09 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.109 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.05 -41.72 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.936 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -68.71 -44.06 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.573 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.63 -51.35 63.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.673 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 48.0 t80 -63.5 -29.77 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.721 -174.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.436 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 16.5 m-85 -92.77 -38.58 11.71 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 11.4 pt-20 -70.32 -41.69 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.354 0.597 . . . . 0.0 110.66 -175.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.1 mt-10 -109.34 36.01 3.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.576 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 61.2 t80 -74.37 -71.1 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.447 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.94 4.94 18.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.283 0.564 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -96.95 25.43 5.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.959 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -77.3 72.58 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.894 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.273 -176.366 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -69.79 152.43 44.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.188 0.449 . . . . 0.0 110.115 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -174.21 -51.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -171.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.709 ' HZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -64.99 163.59 14.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.753 175.082 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.62 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 18.9 m -51.24 124.88 12.65 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -45.93 -40.98 10.96 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.946 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -84.54 -15.02 47.24 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.815 HG11 HD21 ' A' ' 36' ' ' LEU . 97.2 t -81.52 -36.42 14.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -178.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 30.0 tt0 -46.58 -48.2 19.65 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.376 175.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -65.78 -57.91 6.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.872 -1.058 . . . . 0.0 112.137 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -72.36 -28.82 63.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -170.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 30.4 tp -62.63 -40.03 95.7 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.256 -0.578 . . . . 0.0 109.448 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -57.17 -40.69 77.8 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.38 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 23.5 mt-10 -71.76 -38.69 70.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.905 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -74.77 -16.18 60.73 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.882 0.372 . . . . 0.0 111.276 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.5 t -92.04 -54.31 7.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.682 177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -101.46 -38.08 8.15 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.612 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.3 mtt180 -83.43 6.46 20.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.848 0.356 . . . . 0.0 110.716 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 20' ' ' GLN . 4.3 t60 -120.11 -169.78 1.85 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 15.0 mm100 -85.63 20.62 2.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.367 0.127 . . . . 0.0 111.154 -178.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 13.3 mmm180 68.36 176.7 0.26 Allowed 'General case' 0 CA--C 1.528 0.128 0 O-C-N 123.547 0.529 . . . . 0.0 111.119 -178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.549 HD11 ' HB3' ' A' ' 26' ' ' GLU . 12.2 tt -172.14 147.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.411 -174.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.0 p -74.8 161.52 29.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.555 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.71 -41.81 99.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.925 -174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.51 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.153 0.501 . . . . 0.0 110.534 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.8 mm-40 -63.78 -33.12 74.97 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.659 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -65.27 -43.32 91.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.796 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -67.0 -35.63 80.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.499 -178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -65.18 -38.32 90.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.283 0.563 . . . . 0.0 109.758 175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 66.1 t80 -69.42 -28.13 65.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.304 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.39 -54.86 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.316 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -70.89 -19.54 62.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' NH1' ' HD1' ' A' ' 30' ' ' TYR . 36.6 ttm180 -66.8 -32.19 73.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.975 0.417 . . . . 0.0 110.335 176.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 56.4 mt -100.85 -25.97 13.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.541 -177.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.03 40.33 0.65 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.091 -1.052 . . . . 0.0 113.138 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.815 HD21 HG11 ' A' ' 8' ' ' VAL . 27.3 mt -102.75 135.81 43.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.515 0.674 . . . . 0.0 112.46 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.0 166.66 13.32 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.646 169.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.24 -25.09 67.91 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.122 0.264 . . . . 0.0 111.043 -176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -49.31 -56.28 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.566 0.698 . . . . 0.0 110.549 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -73.08 -27.32 61.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.832 -1.077 . . . . 0.0 111.234 -174.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 37' ' ' ASN . 44.5 mt -68.83 -42.98 82.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.023 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 42' ' ' ARG . 63.2 mtt180 -70.3 -35.16 73.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.979 175.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.809 ' HA ' ' HB3' ' A' ' 47' ' ' GLU . 35.0 tt0 -58.41 -35.67 72.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.72 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 1.5 t80 -92.06 -27.33 17.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.54 -0.464 . . . . 0.0 112.143 -174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.03 -64.71 1.05 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.195 0.522 . . . . 0.0 111.79 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.82 -48.23 11.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.592 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.809 ' HB3' ' HA ' ' A' ' 43' ' ' GLN . 27.4 tt0 -85.02 8.38 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.231 0.538 . . . . 0.0 110.653 -176.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 74.3 t80 -58.36 -72.33 0.1 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.476 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 14.6 pt-20 -135.22 -13.3 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.707 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -79.54 -24.89 41.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.992 0.425 . . . . 0.0 111.131 -174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.752 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 83.5 mtt180 -95.29 97.61 9.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.124 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt . . . . . 0 C--O 1.247 0.969 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.051 177.718 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 14.3 tpt . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.045 0.45 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 1' ' ' MET . 13.1 mptt 69.56 173.63 0.3 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.333 0.587 . . . . 0.0 111.244 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -121.22 -61.49 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.765 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -129.56 164.16 24.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.436 177.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB2' HG23 ' A' ' 8' ' ' VAL . 12.6 m -50.53 117.75 2.63 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.74 -24.89 67.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -171.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -58.16 -35.43 71.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.904 0.859 . . . . 0.0 109.752 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG22 ' HB3' ' A' ' 34' ' ' LEU . 40.6 t -80.25 -34.99 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.839 -174.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 3.9 tm-20 -51.25 -50.15 59.78 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 174.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -60.98 -63.06 1.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.054 -0.976 . . . . 0.0 111.547 174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HE3' ' OH ' ' A' ' 30' ' ' TYR . 50.7 tttp -65.92 -45.44 81.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -167.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 38.5 tp -69.27 -42.41 75.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.71 0.291 . . . . 0.0 110.914 -175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 25.6 ttpt -58.25 -43.23 87.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.395 0.617 . . . . 0.0 110.38 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' HD3' ' A' ' 18' ' ' ARG . 74.6 mt-10 -75.64 -11.26 59.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.207 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 21.3 t80 -94.31 -37.83 11.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.961 0.41 . . . . 0.0 110.661 177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 57.3 t -77.11 -36.62 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.746 0.307 . . . . 0.0 111.486 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -102.88 -38.16 7.52 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.53 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 52.6 mtp180 -98.7 -4.87 32.69 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.23 0.538 . . . . 0.0 110.637 -171.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.6 m80 -118.55 52.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.033 170.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 24.2 mp0 67.98 -71.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 114.526 -1.215 . . . . 0.0 112.392 -178.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 4.0 mtp180 167.36 176.15 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.961 0.904 . . . . 0.0 109.75 -173.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.3 tt -161.84 147.67 4.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 p -75.85 158.58 31.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.268 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.25 -35.61 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.08 -62.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.509 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -78.73 -20.04 50.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.835 0.35 . . . . 0.0 110.563 -177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.33 -40.44 89.89 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -68.92 -34.0 74.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 109.925 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -57.64 -48.8 78.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.483 0.658 . . . . 0.0 109.42 172.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.443 ' OH ' ' HE3' ' A' ' 11' ' ' LYS . 2.8 t80 -64.96 -31.59 72.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.243 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.595 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.56 -49.85 67.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.16 -32.67 74.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -63.69 -41.0 98.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.98 177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.73 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.1 mt -94.36 -7.98 40.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -172.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.17 41.07 3.83 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.352 -0.928 . . . . 0.0 113.481 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 4' ' ' TRP . 30.6 mt -98.43 135.07 40.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.664 0.745 . . . . 0.0 112.72 -176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.21 156.76 23.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.627 -1.169 . . . . 0.0 109.28 168.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 41' ' ' ILE . 14.2 tt0 -67.83 -13.16 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 111.194 -173.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -53.43 -57.46 10.57 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.341 174.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.35 -29.5 59.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.127 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 38' ' ' GLU . 59.0 mt -58.71 -50.4 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.703 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -76.62 -35.79 57.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.551 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.68 -44.49 73.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.109 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.524 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 18.1 t80 -61.33 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.221 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -68.81 -38.94 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.388 . . . . 0.0 111.478 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 6.3 tt0 -80.23 -47.34 14.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.713 -170.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.14 44.01 1.04 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.645 0.736 . . . . 0.0 110.283 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -65.26 161.19 19.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.551 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.64 -15.75 61.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.888 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -76.73 -18.06 58.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.245 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 80.2 mtt180 -107.13 117.0 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.361 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.4 pttt . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.857 -178.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mmm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.829 0.347 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -94.73 101.72 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.47 HE22 ' HG2' ' A' ' 43' ' ' GLN . 22.2 mt-30 -131.04 -62.83 0.88 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.146 0.498 . . . . 0.0 110.129 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.946 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -123.84 174.63 7.41 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.084 -179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.9 m -57.49 119.88 7.29 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -46.7 -42.9 17.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.34 -26.83 65.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.996 0.427 . . . . 0.0 111.153 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.726 HG11 HD21 ' A' ' 36' ' ' LEU . 46.6 t -78.57 -32.25 16.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 33.6 tt0 -53.19 -48.96 67.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.383 0.611 . . . . 0.0 110.045 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 36.6 tt0 -70.8 -44.02 67.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.499 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.75 -29.86 62.47 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 28.0 tp -74.03 -32.95 63.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 5.3 tmmm? -52.74 -49.0 66.31 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 170.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 43.2 mt-10 -67.07 -39.58 86.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.289 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 1.8 t80 -73.12 -29.03 62.61 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.912 0.386 . . . . 0.0 111.373 -175.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -88.7 -63.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.763 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 tppt? -60.45 -50.18 74.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.962 0.41 . . . . 0.0 111.698 -176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 99.4 mtt180 -85.15 -35.58 21.63 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.192 -171.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 63.5 m80 -92.27 35.98 1.0 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.984 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 59.7 26.65 15.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 66.76 123.88 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.784 0.802 . . . . 0.0 112.445 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.6 tt -106.01 145.08 14.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.402 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 p -69.02 157.83 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.446 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.4 -34.06 76.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.777 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -51.71 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 111.271 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -73.91 -29.08 61.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.081 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.2 -48.37 81.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.734 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.75 -39.01 87.74 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.512 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.88 83.81 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.455 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.4 t80 -62.56 -25.23 67.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.971 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.33 38.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.192 0.52 . . . . 0.0 110.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.917 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.12 -25.27 63.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.297 0.57 . . . . 0.0 109.505 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.25 -34.99 78.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.989 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 36.4 mt -102.07 3.33 38.59 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.65 39.26 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.51 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.946 HD22 ' HB2' ' A' ' 4' ' ' TRP . 19.1 mt -97.23 173.43 7.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.283 0.563 . . . . 0.0 111.43 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.535 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -132.82 161.89 32.94 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.316 179.028 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.18 -25.65 68.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.086 0.241 . . . . 0.0 111.613 -172.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.12 -56.08 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.709 0.766 . . . . 0.0 110.098 172.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -70.68 -35.83 73.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.977 -175.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 37' ' ' ASN . 67.5 mt -62.4 -48.98 85.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.624 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -67.29 -45.26 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.681 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.625 ' NE2' ' HB3' ' A' ' 47' ' ' GLU . 28.1 tp60 -55.1 -43.08 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.576 -177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -26.55 62.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.264 -175.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -82.35 -61.38 1.91 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.738 0.304 . . . . 0.0 111.345 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.6 -34.73 78.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.625 ' HB3' ' NE2' ' A' ' 43' ' ' GLN . 85.3 tt0 -133.05 61.15 1.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.597 0.713 . . . . 0.0 109.837 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 63.9 t80 -67.07 -65.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.004 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 17.2 pt-20 170.71 -33.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.975 176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -90.75 -19.69 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.235 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -73.59 97.56 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.348 0.594 . . . . 0.0 111.476 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.188 179.128 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 16.9 ptp . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 111.537 0.199 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 1' ' ' MET . 42.8 mmtm -110.63 121.94 46.56 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.916 -0.49 . . . . 0.0 110.379 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 179.57 -51.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.561 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -110.54 -176.92 3.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.748 172.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.1 t -77.25 132.07 38.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.95 -42.72 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.237 0.541 . . . . 0.0 111.233 -175.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -64.25 -40.51 96.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.307 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 5' ' ' SER . 41.0 t -64.55 -46.94 91.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.242 -172.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 4' ' ' TRP . 6.3 tm-20 -49.83 -42.82 48.17 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 123.595 0.559 . . . . 0.0 111.104 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -63.07 -59.99 4.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.634 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.54 -24.6 60.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.533 -172.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 7.2 tp -63.73 -45.4 90.08 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 33.3 ttpt -54.73 -43.97 73.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.332 176.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.961 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -27.36 69.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.224 -175.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG22 HG22 ' A' ' 22' ' ' ILE . 75.7 t -92.39 -50.94 12.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.67 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -85.53 -48.98 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -172.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -79.4 -30.37 42.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.44 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 31.8 m-70 -86.59 -157.7 0.38 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 39.6 mt-30 -82.82 9.55 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 69.83 135.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.467 0.707 . . . . 0.0 110.291 -174.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.585 HG21 HD23 ' A' ' 27' ' ' LEU . 16.9 tt -114.06 147.34 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.451 -171.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -85.31 158.46 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.78 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -61.39 -33.94 74.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.922 -173.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.25 -58.41 7.82 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.106 0.479 . . . . 0.0 111.266 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.57 -27.32 62.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.806 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.98 -46.46 87.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.224 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -68.02 -35.8 78.9 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.347 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -64.09 -42.98 96.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -64.94 -36.63 85.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.07 -55.0 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.374 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.07 -38.03 87.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.0 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -65.55 -36.15 82.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.2 mt -85.38 -26.01 26.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.656 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.75 0.88 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.256 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD11 HG11 ' A' ' 8' ' ' VAL . 61.1 mt -97.44 178.0 5.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.786 0.803 . . . . 0.0 112.108 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -140.02 152.9 46.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.152 -1.385 . . . . 0.0 108.344 174.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 3.4 mp0 -54.01 -33.81 58.2 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.07 -55.52 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.352 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -66.61 -36.55 82.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.836 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 37' ' ' ASN . 69.0 mt -58.67 -52.87 54.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.446 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -69.03 -34.11 74.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.207 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -57.46 -43.09 83.72 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 31.1 t80 -63.91 -25.75 68.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.402 -174.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HZ ' ' HG ' ' A' ' 27' ' ' LEU . 55.4 m-85 -89.06 -48.97 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -82.44 -28.96 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.71 -0.62 57.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.394 0.616 . . . . 0.0 110.196 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -76.15 -158.4 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.022 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.41 -11.11 60.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.279 0.561 . . . . 0.0 110.309 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -83.25 23.54 0.88 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.376 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 57.4 mtt180 -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.416 178.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.207 -0.902 . . . . 0.0 109.689 -179.047 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.807 0.337 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -150.79 167.18 28.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.871 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.46 -50.74 6.34 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.462 ' HB3' HD21 ' A' ' 37' ' ' ASN . 9.7 p90 -151.64 168.06 26.18 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 170.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.647 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.3 m -52.23 118.2 3.35 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -66.37 -18.18 65.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.386 0.612 . . . . 0.0 110.289 -173.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -65.11 -24.1 67.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.563 171.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.866 HG11 HD21 ' A' ' 36' ' ' LEU . 53.2 t -76.75 -39.99 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -46.22 -54.87 7.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.491 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.83 -58.26 5.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.09 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.9 -44.57 92.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.825 -170.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.22 -38.15 81.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.787 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -51.6 -46.47 63.57 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.43 0.633 . . . . 0.0 110.244 174.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.47 -26.75 34.99 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.666 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 40.7 t80 -78.91 -23.39 44.79 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.934 0.397 . . . . 0.0 110.967 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.9 t -92.74 -62.66 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.65 -44.96 63.4 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.966 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -92.1 5.04 51.79 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.325 -0.234 . . . . 0.0 111.63 -174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 21.8 m80 -130.98 -151.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.1 0.476 . . . . 0.0 111.445 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.478 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -71.99 -0.43 11.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.772 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.9 ttp180 74.99 -40.76 0.45 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.595 0.758 . . . . 0.0 111.088 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.7 tt 58.4 140.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.789 1.635 . . . . 0.0 114.299 172.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -71.55 150.58 44.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.677 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -69.48 -26.82 64.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.526 -173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -61.27 -55.4 32.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.127 0.489 . . . . 0.0 110.137 177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -63.68 -33.45 75.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.56 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 9.9 tt -67.91 -31.51 71.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.056 -178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -70.35 -37.76 74.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.589 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.0 93.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 172.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -67.64 -15.82 63.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.659 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -72.5 -39.79 67.37 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.51 -28.64 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.956 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' HD3' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.02 -32.85 71.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.108 179.14 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 HD23 ' HD3' ' A' ' 33' ' ' ARG . 44.8 mt -92.35 -25.12 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -176.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.63 39.75 4.33 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.866 HD21 HG11 ' A' ' 8' ' ' VAL . 4.1 mt -87.55 142.76 27.61 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.266 0.555 . . . . 0.0 111.827 -177.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.566 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -111.52 158.49 19.11 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.479 171.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 43.7 mt-10 -61.78 -13.29 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.566 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 7.6 tp10 -51.86 -62.85 1.37 Allowed 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -74.06 -30.96 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.934 -177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 61.1 mt -59.3 -31.19 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.559 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -92.01 -56.5 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.233 0.539 . . . . 0.0 110.749 172.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -56.82 -41.89 78.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.4 -170.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 7.0 t80 -70.44 -22.38 62.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.216 -172.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.611 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 74.0 m-85 -91.28 -41.27 11.04 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.807 0.337 . . . . 0.0 111.432 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -76.34 -23.84 54.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -134.87 48.33 2.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.417 0.627 . . . . 0.0 110.393 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 24.5 t80 -75.9 -72.42 0.32 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.335 -177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.575 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 10.3 pt-20 -167.61 -31.17 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.086 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -86.75 4.32 41.34 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -148.35 131.42 16.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.112 -1.404 . . . . 0.0 108.963 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HG2' ' OXT' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.892 -1.052 . . . . 0.0 109.919 174.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.75 140.88 44.38 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -123.7 -67.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.136 0.493 . . . . 0.0 110.639 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.868 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -87.43 167.15 14.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.336 177.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 29.3 t -52.3 118.67 3.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.36 -37.28 64.77 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 111.28 -177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -58.74 -41.43 86.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.83 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.659 HG11 HD21 ' A' ' 36' ' ' LEU . 58.3 t -73.51 -36.06 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.497 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.34 -36.22 63.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.228 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.2 -51.06 33.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.987 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -69.02 -42.19 76.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.566 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.08 -46.82 82.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.952 0.406 . . . . 0.0 110.575 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -50.46 -50.41 52.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.307 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 60.6 mt-10 -79.52 -35.73 39.55 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.09 -173.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 57.2 t80 -74.4 -28.02 60.9 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.259 -0.276 . . . . 0.0 111.582 -174.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 86.5 t -81.87 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.629 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -87.26 -28.75 22.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -168.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 75.7 mtp180 -81.69 -20.84 38.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.774 0.321 . . . . 0.0 111.539 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 56.6 m80 -96.97 -161.2 0.85 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -80.3 23.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.314 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 58.8 mtt180 63.3 179.54 0.15 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 123.347 0.659 . . . . 0.0 110.978 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 HG21 HD23 ' A' ' 27' ' ' LEU . 14.9 tt -166.2 149.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.37 -175.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 24.7 p -71.13 148.6 47.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.936 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.52 -27.0 68.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.811 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.18 -64.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.556 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 42.1 tt0 -70.29 -24.73 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.032 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 22' ' ' ILE . 2.6 tm? -62.05 -43.23 99.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.901 177.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 -66.94 -41.54 86.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.281 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.77 -24.55 63.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.288 0.566 . . . . 0.0 110.11 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -78.38 -19.71 52.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.793 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.56 -55.39 5.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.21 -30.76 71.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.63 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -63.82 -19.88 65.36 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.49 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' HB3' HG22 ' A' ' 8' ' ' VAL . 62.2 mt -110.37 -5.3 15.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.72 40.9 2.09 Favored Glycine 0 C--N 1.329 0.163 0 C-N-CA 119.869 -1.158 . . . . 0.0 113.534 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.868 HD22 ' HB2' ' A' ' 4' ' ' TRP . 25.6 mt -111.99 140.96 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.562 0.696 . . . . 0.0 112.83 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.444 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.23 158.67 16.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.186 167.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 41' ' ' ILE . 24.5 tt0 -69.16 -19.31 64.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.744 0.306 . . . . 0.0 110.992 -175.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -49.51 -49.19 46.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.779 174.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.17 -35.99 55.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.949 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 38' ' ' GLU . 56.9 mt -63.15 -49.12 84.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.3 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -64.22 -44.41 91.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.077 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.58 -34.64 77.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.545 -175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -74.42 -26.37 60.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.084 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.12 -45.1 8.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -74.63 -27.87 60.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.324 0.583 . . . . 0.0 110.583 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -121.46 53.09 1.19 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.206 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -77.66 -73.09 0.32 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.168 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -161.65 -39.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 110.55 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -101.69 -28.2 12.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.231 0.538 . . . . 0.0 109.606 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -82.98 119.03 23.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.235 171.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 41.0 pttt . . . . . 0 C--O 1.248 0.984 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.029 -178.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.53 150.93 24.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.172 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 1.3 pm0 -130.97 19.96 4.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.736 -168.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.597 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -161.82 -171.22 2.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 -178.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.564 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 42.1 t -87.95 114.65 24.77 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 166.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' HZ3' ' A' ' 4' ' ' TRP . 34.3 mt-10 -38.68 -48.57 1.49 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -63.14 -36.43 83.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.119 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.564 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 87.5 t -69.09 -43.1 82.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.947 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.467 ' HG3' ' CE2' ' A' ' 4' ' ' TRP . 1.0 OUTLIER -54.6 -48.49 72.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.243 0.544 . . . . 0.0 110.13 -178.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -57.69 -53.57 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.554 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -76.45 -31.21 57.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.874 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.95 -47.91 83.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.865 0.364 . . . . 0.0 110.136 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 24.3 ttpt -55.96 -47.55 77.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.62 -25.12 62.03 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.416 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.509 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 28.6 t80 -78.62 -18.04 55.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.203 0.525 . . . . 0.0 110.462 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.7 t -96.54 -47.61 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.996 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -83.56 -51.38 7.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -88.27 -8.22 55.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.932 0.396 . . . . 0.0 111.013 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 34.8 m80 -104.03 -166.27 1.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -79.97 22.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 63.75 177.94 0.16 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.015 0.526 . . . . 0.0 110.57 -177.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.4 tt -166.07 151.15 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -74.59 156.65 36.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.322 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.03 -34.24 77.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.83 -55.21 35.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.453 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.6 -26.42 62.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.793 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.89 -42.96 99.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.852 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -66.83 -37.63 84.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 109.998 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.02 -38.87 83.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.348 0.594 . . . . 0.0 109.852 177.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 59.2 t80 -74.47 -28.45 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.296 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.02 -53.96 17.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 -178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.14 -34.96 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -61.48 -38.2 86.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 98.9 mt -91.28 -25.31 19.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.014 -175.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.34 41.14 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.971 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 68.9 mt -105.55 133.81 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.499 0.65 . . . . 0.0 111.68 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -91.12 161.24 15.18 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.887 169.666 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.19 -20.66 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.2 -56.08 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.467 0.651 . . . . 0.0 110.283 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.597 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -64.98 -36.41 84.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.858 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.4 mt -66.77 -49.41 74.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.891 -177.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -65.82 -42.43 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.284 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -66.52 -20.62 66.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.503 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -82.88 -36.95 24.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.256 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -79.98 -57.73 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.85 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 10.3 pt-20 -70.39 -46.36 64.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.704 -173.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 36.1 mt-10 -98.34 42.73 1.08 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.657 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.93 -55.98 15.98 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -109.84 -8.15 14.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.675 -174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -90.36 24.13 2.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.304 0.573 . . . . 0.0 110.926 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -81.34 55.69 2.66 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.846 -176.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt . . . . . 0 C--O 1.252 1.194 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.201 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 tpp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -160.99 116.34 2.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.715 ' HB3' ' HB3' ' A' ' 37' ' ' ASN . 16.6 mm-40 -116.62 132.81 56.59 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.635 ' HB2' HD21 ' A' ' 37' ' ' ASN . 9.9 t-105 66.66 15.37 10.1 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.584 ' HB2' HG23 ' A' ' 8' ' ' VAL . 50.9 m -9.64 135.18 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 111.708 -2.497 . . . . 0.0 114.321 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -32.81 -53.06 0.34 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.673 0.789 . . . . 0.0 112.611 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -60.24 -35.34 75.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' HB2' ' A' ' 5' ' ' SER . 98.6 t -58.57 -51.39 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.247 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -47.81 -48.32 30.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.848 0.717 . . . . 0.0 111.121 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 29.5 tt0 -68.92 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.111 177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 21.5 ttpt -64.52 -35.32 80.58 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -168.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.3 tp -68.85 -42.73 76.69 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.247 -0.581 . . . . 0.0 109.959 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -52.88 -51.05 62.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.551 0.691 . . . . 0.0 109.963 171.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 22.0 mm-40 -66.99 -28.25 68.11 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.664 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 6.0 t80 -78.79 -31.14 45.91 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.969 0.414 . . . . 0.0 110.632 -174.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.8 t -86.6 -33.89 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.614 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -88.03 -55.97 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.238 -176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -106.08 2.31 27.08 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.694 -166.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.607 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 76.1 m80 -120.47 52.46 1.16 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 95.5 mt-30 72.92 -70.9 0.15 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.628 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 10.0 ttm180 153.73 172.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 -171.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 tt -158.18 148.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 117.759 0.254 . . . . 0.0 110.344 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.7 p -83.34 165.46 19.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.649 0.261 . . . . 0.0 110.755 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.12 -37.64 88.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.697 -176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -61.06 -53.15 60.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.021 0.439 . . . . 0.0 110.223 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.53 -38.48 91.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.199 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -66.73 -37.84 85.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.991 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -72.55 -30.96 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.205 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.62 80.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 171.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.487 ' CE2' HD11 ' A' ' 34' ' ' LEU . 2.7 t80 -61.84 -29.19 70.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.797 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HA ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.01 -58.35 8.93 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.121 0.486 . . . . 0.0 111.357 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -77.79 -11.6 59.9 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.132 0.491 . . . . 0.0 110.434 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -81.69 -35.26 30.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.334 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD11 ' CE2' ' A' ' 30' ' ' TYR . 59.9 mt -86.46 -32.07 21.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.7 43.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.93 -1.128 . . . . 0.0 112.389 -176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HG ' ' HA ' ' A' ' 31' ' ' ALA . 5.2 mt -91.98 172.88 8.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.997 0.904 . . . . 0.0 112.435 -175.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.715 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . 7.7 p30 -134.37 142.12 47.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.677 -1.601 . . . . 0.0 108.214 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -60.09 -28.54 67.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.101 0.251 . . . . 0.0 111.589 -171.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' HB3' ' OD1' ' A' ' 37' ' ' ASN . 7.4 tt0 -57.09 -61.24 2.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.428 0.632 . . . . 0.0 111.133 176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 4' ' ' TRP . . . -71.18 -28.88 64.56 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.366 -172.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG13 ' O ' ' A' ' 37' ' ' ASN . 61.9 mt -63.52 -54.35 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.22 0.534 . . . . 0.0 110.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -65.38 -38.57 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.102 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -66.5 -26.2 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -73.08 -26.87 61.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.473 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -89.52 -46.06 8.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.739 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HG3' ' HG3' ' A' ' 47' ' ' GLU . 10.5 pt-20 -73.38 -27.19 61.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.218 0.532 . . . . 0.0 111.044 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -119.33 48.85 1.43 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.998 174.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.44 -75.9 0.25 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.379 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 175.49 -38.11 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -111.43 5.13 19.43 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.676 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -130.29 90.33 2.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.525 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.6 pttp . . . . . 0 C--O 1.25 1.094 0 CA-C-O 119.362 -0.351 . . . . 0.0 110.241 177.767 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.55 0.214 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 3' ' ' GLN . 72.8 mmtt -102.85 -1.55 29.47 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.5 tp-100 170.45 -69.92 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -175.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -98.84 -174.96 2.91 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.3 171.347 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 13.6 m -80.96 119.95 24.14 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 164.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.8 pm0 -64.5 -27.86 69.26 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -173.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -58.33 -48.68 79.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.652 0.739 . . . . 0.0 109.622 169.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 34' ' ' LEU . 76.3 t -61.49 -48.0 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.325 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.18 -43.39 70.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.959 0.409 . . . . 0.0 110.334 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -58.37 -57.76 11.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.149 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -67.99 -32.79 73.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.033 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.1 tp -62.13 -49.27 76.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.712 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 38.0 ttpt -52.26 -47.33 65.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.8 178.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HA ' ' HD3' ' A' ' 18' ' ' ARG . 75.4 mt-10 -63.56 -46.88 83.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.71 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 23.2 t80 -67.39 -19.94 65.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.576 -175.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 95.9 t -92.36 -74.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.581 177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 5.2 ptmm? -75.9 -23.51 55.55 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 58.9 mtp180 -96.1 -11.01 26.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.325 -179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 10.9 m-70 -119.88 -140.17 0.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.579 0.228 . . . . 0.0 111.094 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 76.5 mt-30 -70.07 1.22 4.87 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -173.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' O ' HG22 ' A' ' 22' ' ' ILE . 12.3 mpt_? 74.28 -13.4 0.79 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.96 0.504 . . . . 0.0 111.13 -175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' ARG . 3.4 tt 67.05 147.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 124.449 1.1 . . . . 0.0 112.809 173.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.0 p -102.73 153.83 19.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.377 170.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.445 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 34.2 tt0 -62.7 -29.02 70.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -174.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.91 -56.66 15.25 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.912 0.386 . . . . 0.0 110.295 177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -62.57 -35.04 78.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.733 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 56.5 tp -57.97 -52.08 67.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.241 -178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.803 -174.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -65.63 -40.94 93.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.257 0.551 . . . . 0.0 109.645 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -67.44 -29.93 69.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.547 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.733 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.97 -52.29 37.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.856 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.71 -13.78 60.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.366 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -77.43 -37.32 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.651 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 44.7 mt -102.77 -27.3 12.77 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.79 40.26 0.57 Allowed Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.784 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.733 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 90.2 mt -92.53 130.17 38.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.071 0.436 . . . . 0.0 110.394 173.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.88 157.84 18.87 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -53.24 -30.6 39.0 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.413 0.445 . . . . 0.0 111.992 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.19 -55.91 28.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.51 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -66.52 -27.63 67.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.191 -175.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.0 mt -67.44 -46.84 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.365 0.603 . . . . 0.0 109.853 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -72.26 -29.19 63.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.207 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -65.69 -34.94 79.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.045 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -88.1 -33.21 18.34 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.422 -175.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -91.07 -70.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -66.03 -53.56 37.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -94.77 38.43 1.12 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.973 -176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 49' ' ' GLU . 36.2 t80 -49.7 -70.29 0.09 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.248 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.626 ' HG3' ' HG2' ' A' ' 50' ' ' GLN . 15.1 pt-20 168.2 -30.15 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.957 0.786 . . . . 0.0 109.138 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' HG2' ' HG3' ' A' ' 49' ' ' GLU . 68.9 mm-40 -106.41 16.98 24.03 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.775 0.798 . . . . 0.0 109.034 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -146.2 127.53 14.88 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.133 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp . . . . . 0 C--O 1.25 1.096 0 O-C-N 124.055 0.847 . . . . 0.0 111.533 173.221 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.3 ttm . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -134.85 131.77 37.79 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.552 ' HG3' HE22 ' A' ' 43' ' ' GLN . 12.8 mm100 -107.97 -4.82 17.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.576 -169.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.893 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -177.53 -174.6 0.48 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -175.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.562 ' HB3' HG23 ' A' ' 8' ' ' VAL . 46.8 t -67.86 116.13 8.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -34.42 42.14 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -35.84 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.919 0.39 . . . . 0.0 110.704 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG11 HD11 ' A' ' 36' ' ' LEU . 46.2 t -75.36 -33.89 29.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.073 0.463 . . . . 0.0 109.97 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 36.1 tt0 -53.62 -39.94 65.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.268 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -76.2 -44.12 39.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.592 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -62.78 -34.17 76.7 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.632 HD22 ' HZ3' ' A' ' 4' ' ' TRP . 13.2 tp -74.52 -37.07 63.17 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.334 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -51.67 -42.53 62.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.725 0.774 . . . . 0.0 109.338 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 22.1 mm-40 -68.87 -51.29 41.87 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.507 178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 31.5 t80 -78.79 -17.11 56.26 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -169.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.1 t -96.6 -63.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.191 0.52 . . . . 0.0 110.909 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -69.52 -33.76 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.516 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 57.6 mtp180 -99.8 -10.8 21.39 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -176.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 75.7 m80 -126.06 90.65 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -176.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ILE . 20.9 pt20 49.45 21.24 0.56 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.532 1.133 . . . . 0.0 113.839 170.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 21' ' ' ARG . 46.4 ttm180 72.99 -21.23 0.25 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.527 0.731 . . . . 0.0 112.219 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.731 HD11 ' HB3' ' A' ' 26' ' ' GLU . 0.4 OUTLIER 67.09 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 111.699 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.635 ' H ' HD13 ' A' ' 22' ' ' ILE . 20.9 p -116.58 162.36 17.74 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.29 170.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.31 -36.28 75.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -51.98 -65.4 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.476 0.485 . . . . 0.0 111.82 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.5 tp10 -66.33 -40.56 89.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.809 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 22' ' ' ILE . 8.4 tt -50.75 -49.98 56.78 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -74.58 -30.98 61.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 110.526 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -67.81 -36.65 80.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -32.13 72.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.873 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -60.18 -60.81 3.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.596 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -73.83 -10.43 59.66 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.983 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -84.29 -37.72 21.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.6 mt -96.38 -25.99 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.61 40.61 0.61 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.079 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.893 HD22 ' HB2' ' A' ' 4' ' ' TRP . 15.0 mt -109.78 177.73 4.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.841 0.829 . . . . 0.0 111.376 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.63 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -139.06 152.36 47.5 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.95 -1.477 . . . . 0.0 109.982 176.137 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 5.8 pt-20 -43.63 -25.34 0.16 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.213 0.946 . . . . 0.0 113.245 175.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.63 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.8 tp10 -50.33 -56.98 8.97 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.616 0.722 . . . . 0.0 110.592 177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.55 -20.0 51.6 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.829 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.584 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 16.9 mm -61.67 -61.16 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.457 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -66.85 -34.71 78.4 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.874 0.369 . . . . 0.0 110.112 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.552 HE22 ' HG3' ' A' ' 3' ' ' GLN . 3.5 tt0 -59.4 -39.07 82.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -69.61 -30.81 68.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.404 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 51.0 m-85 -80.05 -46.91 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.396 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.22 -38.54 60.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.38 0.61 . . . . 0.0 110.761 -174.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.895 ' HG3' ' HE2' ' A' ' 52' ' ' LYS . 26.3 tt0 -110.53 44.26 1.28 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.443 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -66.31 164.98 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.686 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 12.2 pt-20 -61.37 -27.47 68.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.839 0.352 . . . . 0.0 111.527 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 15.1 mt-30 -103.65 -0.01 30.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.416 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -108.77 32.22 5.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.959 0.409 . . . . 0.0 111.917 -175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.895 ' HE2' ' HG3' ' A' ' 47' ' ' GLU . 35.8 mmtm . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.626 176.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 62.96 95.24 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.69 0.757 . . . . 0.0 109.042 -168.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -86.97 -42.87 12.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.296 -170.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -88.3 176.47 7.21 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.273 170.469 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.781 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.3 m -80.01 117.16 20.6 Favored 'General case' 0 C--N 1.312 -1.06 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -43.48 -34.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.44 -41.75 88.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.286 0.565 . . . . 0.0 110.304 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 5' ' ' SER . 46.2 t -65.69 -51.46 62.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.316 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -52.18 -42.03 63.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.611 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.2 tt0 -65.48 -52.12 55.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.344 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -82.91 -14.39 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.03 -46.61 77.23 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 63.9 tttt -51.3 -45.26 62.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.158 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.626 ' HA ' ' HG3' ' A' ' 18' ' ' ARG . 45.3 mt-10 -68.04 -49.76 59.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.633 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 36.9 t80 -67.15 -25.06 65.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.16 0.505 . . . . 0.0 111.53 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -90.61 -67.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.456 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -68.76 -45.01 72.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.815 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' HG3' ' HA ' ' A' ' 14' ' ' GLU . 55.0 mtp180 -89.76 7.67 35.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.45 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 61.0 m80 -140.3 -129.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.264 0.554 . . . . 0.0 112.316 -174.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 5.7 tp-100 -80.23 -17.99 50.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.287 -170.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 22' ' ' ILE . 54.5 mtm180 71.28 -46.12 0.63 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.718 0.807 . . . . 0.0 110.577 -172.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.647 HD11 ' HG2' ' A' ' 26' ' ' GLU . 14.3 tt 63.38 149.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.31 1.444 . . . . 0.0 114.376 164.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -64.47 149.91 47.6 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.573 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -67.76 -31.01 70.61 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -174.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.14 -55.6 30.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.211 0.529 . . . . 0.0 110.209 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG2' HD11 ' A' ' 22' ' ' ILE . 20.8 tp10 -61.28 -38.65 87.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.847 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -67.6 -28.28 67.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.064 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -33.2 36.8 Favored 'General case' 0 CA--C 1.513 -0.478 0 O-C-N 122.087 -0.383 . . . . 0.0 111.374 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 29' ' ' GLN . 2.1 tt0 -63.61 -42.32 98.23 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 167.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -59.95 -42.04 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.408 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -51.63 -62.42 1.63 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.842 0.354 . . . . 0.0 111.77 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.35 -26.08 61.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.266 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -62.55 -37.69 87.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.86 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 ' HB3' HG22 ' A' ' 8' ' ' VAL . 41.4 mt -91.69 -25.57 19.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.8 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.64 39.22 0.67 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.924 -1.131 . . . . 0.0 113.689 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD21 ' CG1' ' A' ' 8' ' ' VAL . 68.9 mt -91.25 132.77 35.91 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.226 174.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.681 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -89.0 152.6 21.61 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 175.511 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.584 ' HA ' HG13 ' A' ' 41' ' ' ILE . 47.5 mt-10 -53.8 -31.93 50.78 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.661 ' HB3' HD21 ' A' ' 37' ' ' ASN . 43.0 tt0 -61.71 -49.8 75.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.278 0.561 . . . . 0.0 110.524 175.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -67.07 -24.18 65.94 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.087 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 37' ' ' ASN . 7.4 mm -64.97 -46.12 92.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.054 178.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.87 -29.88 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.908 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -58.56 -40.1 82.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.803 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.654 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.93 -35.9 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -177.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -92.54 -60.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 42.0 tt0 -62.6 -45.75 91.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.75 0.66 17.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.157 -177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.654 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 19.4 t80 -88.53 -65.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.496 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.74 2.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.909 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.711 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 15.3 mm100 -98.83 25.18 6.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.575 0.702 . . . . 0.0 109.82 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -68.88 131.76 45.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.624 -1.171 . . . . 0.0 110.091 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 9.2 mtpm? . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.351 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' LYS . 24.8 ptm . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.474 0.178 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' MET . 4.2 mppt? 67.21 174.98 0.26 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.202 0.525 . . . . 0.0 110.442 -172.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -124.19 14.04 9.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.73 0.776 . . . . 0.0 109.899 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -145.85 148.57 33.02 Favored 'General case' 0 N--CA 1.423 -1.775 0 N-CA-C 104.28 -2.489 . . . . 0.0 104.28 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.868 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.8 m -48.53 115.54 1.27 Allowed 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -37.76 -38.49 0.29 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 122.998 0.519 . . . . 0.0 112.214 173.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.19 -18.95 63.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.936 179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.868 HG23 ' HB2' ' A' ' 5' ' ' SER . 3.9 t -65.5 -41.37 90.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-O 120.865 0.365 . . . . 0.0 110.442 -177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -52.27 -45.25 65.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.911 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -65.33 -61.51 2.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.032 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -65.58 -33.17 75.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.213 -168.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -66.34 -42.13 88.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 24.8 ttpt -60.54 -45.41 93.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.09 0.471 . . . . 0.0 109.79 176.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.8 -51.45 67.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.074 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.8 t80 -74.71 -17.11 60.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.904 -171.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -96.65 -53.47 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.0 111.165 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB3' ' A' ' 17' ' ' LYS . 29.8 mmmt -79.65 -43.63 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -92.67 0.71 57.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.999 0.428 . . . . 0.0 111.149 -172.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 12.6 m-70 -112.53 -161.12 0.74 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.452 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.79 24.32 1.78 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.364 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 62.54 -178.17 0.14 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.075 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.6 tt -163.63 148.46 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.777 -178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 p -87.21 162.37 17.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.359 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -59.6 -37.5 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.58 -173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -56.18 25.09 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 110.235 -178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 22' ' ' ILE . 5.4 mm-40 -66.62 -32.63 74.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tt -69.81 -32.39 70.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.802 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -33.58 70.51 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.282 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 23.6 tm0? -68.45 -39.56 81.43 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 34' ' ' LEU . 12.7 t80 -69.05 -28.69 66.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.965 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.88 -56.05 25.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.769 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 7.0 pt20 -60.91 -35.2 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.601 0.715 . . . . 0.0 110.297 -178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -60.11 -50.0 75.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.542 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HB3' HG22 ' A' ' 8' ' ' VAL . 49.9 mt -79.36 -18.65 52.0 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -176.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.58 29.74 6.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.589 -176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 11.3 mt -78.19 177.98 7.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.72 0.771 . . . . 0.0 111.544 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.541 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -157.6 163.53 38.2 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.683 -179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.8 -19.04 62.09 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 123.15 0.281 . . . . 0.0 111.509 -170.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -54.31 -63.1 1.26 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.678 175.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.12 -23.73 32.89 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.891 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 37' ' ' ASN . 75.7 mt -63.31 -51.14 74.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -65.94 -42.75 89.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -55.79 -49.04 74.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.355 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -64.26 -28.74 69.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 -175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -83.5 -48.59 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -81.63 -32.51 31.92 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -172.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -101.37 26.88 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.753 0.787 . . . . 0.0 109.932 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.553 ' HD2' ' HG2' ' A' ' 50' ' ' GLN . 13.9 t80 -71.32 -176.45 1.49 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.057 173.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.95 15.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.164 0.507 . . . . 0.0 111.297 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.553 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 28.4 mm-40 -107.56 18.5 21.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -177.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -76.11 145.25 40.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.142 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 52' ' ' LYS . 6.5 mtmp? . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.403 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 mmt . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.951 0.405 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -124.61 127.07 46.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.016 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -125.53 -58.7 1.41 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.687 -178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.587 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -101.41 179.94 4.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.208 175.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.61 ' HB2' HG23 ' A' ' 8' ' ' VAL . 43.0 m -84.09 125.46 32.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 170.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -33.86 -56.86 0.46 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.033 0.833 . . . . 0.0 112.706 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.86 -26.25 67.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 5' ' ' SER . 39.5 t -80.24 -38.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.06 -177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.92 -48.82 51.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.196 0.522 . . . . 0.0 109.675 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 28.2 tt0 -52.78 -63.71 1.06 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.516 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -67.88 -30.86 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.765 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -68.09 -47.76 67.35 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 3.5 tmmm? -56.95 -44.26 82.37 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.733 176.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.8 mt-10 -69.55 -32.69 71.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.825 179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -65.35 -29.69 70.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.067 0.461 . . . . 0.0 111.153 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.46 -39.12 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -90.23 -48.77 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -99.85 -24.02 14.79 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -169.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 15' ' ' PHE . 33.9 t60 -87.18 36.49 0.74 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.16 0.505 . . . . 0.0 110.671 -176.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 61.95 17.24 8.79 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.839 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 66.13 100.12 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.415 0.686 . . . . 0.0 112.014 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 27' ' ' LEU . 15.6 tt -73.97 146.57 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.933 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.16 151.13 47.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.808 0.337 . . . . 0.0 111.382 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -64.32 -40.64 96.32 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.7 -42.17 98.57 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.275 0.56 . . . . 0.0 110.148 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HG3' ' A' ' 29' ' ' GLN . 37.4 mt-10 -73.0 -33.47 65.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.956 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.0 tm? -55.78 -47.12 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.098 176.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -67.26 -46.89 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.471 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.458 HE21 ' HB2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -66.05 -27.71 68.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.463 -178.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 30.4 t80 -78.87 -20.5 49.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.2 177.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.22 -56.18 7.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.77 -16.49 61.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.419 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HD3' ' HD1' ' A' ' 30' ' ' TYR . 76.3 ttt180 -65.83 -33.53 76.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.768 173.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 76.4 mt -99.89 -12.19 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -176.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.81 20.7 3.73 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 119.738 -1.22 . . . . 0.0 113.892 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 4' ' ' TRP . 45.2 mt -91.55 133.68 35.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.475 0.638 . . . . 0.0 111.869 -178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.54 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -90.87 165.79 13.42 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.029 170.08 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.18 -28.65 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.688 0.28 . . . . 0.0 111.384 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -53.01 -49.83 65.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.4 0.619 . . . . 0.0 110.921 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -71.66 -32.68 68.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.649 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 37' ' ' ASN . 40.4 mt -68.72 -48.15 72.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.809 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -60.08 -37.19 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.835 174.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.438 HE21 ' HB3' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -55.06 -35.64 64.74 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.105 -179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -79.99 -46.71 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.4 -49.02 15.77 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -67.86 -39.39 83.77 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.136 -171.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -95.11 23.13 5.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.498 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -62.91 160.36 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.056 0.455 . . . . 0.0 110.214 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.9 -16.21 60.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.23 -171.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -100.12 -3.2 32.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -114.45 117.92 32.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.776 0.322 . . . . 0.0 111.584 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.342 174.231 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' A' ' 4' ' ' TRP . 7.6 ptmm? -62.93 124.86 22.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.831 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -93.14 -38.59 11.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.585 ' HE1' ' HA ' ' A' ' 9' ' ' GLU . 4.2 p90 -118.75 -166.61 1.26 Allowed 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 166.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -49.72 120.89 4.61 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 36.7 tt0 -56.52 -38.59 72.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.21 0.529 . . . . 0.0 110.792 -174.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -74.39 -10.89 60.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.581 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.886 HG11 HD21 ' A' ' 36' ' ' LEU . 44.0 t -94.58 -32.49 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.681 177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 4' ' ' TRP . 50.5 mt-10 -52.28 -46.54 65.9 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.53 0.681 . . . . 0.0 109.43 173.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 22.9 tt0 -58.39 -64.73 0.82 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.225 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 35.7 ttmt -68.1 -25.02 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.569 -170.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.27 -48.96 77.59 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 32.5 ttpt -61.64 -40.59 95.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.252 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 14.1 mm-40 -61.3 -47.88 83.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.213 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.591 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 20.1 t80 -81.78 -30.19 32.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.309 -0.405 . . . . 0.0 112.032 -172.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 91.9 t -88.35 -43.04 15.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.739 -178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.7 -39.85 8.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -173.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -87.79 -19.02 28.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 29.2 m80 -90.34 -160.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -83.78 30.89 0.49 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 38.5 mtp180 63.64 -171.59 0.17 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.684 -175.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 HD23 ' A' ' 27' ' ' LEU . 15.1 tt -169.29 148.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.77 0.319 . . . . 0.0 110.9 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 p -75.05 154.33 38.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 175.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -27.26 63.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.935 -175.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -56.8 -58.84 6.38 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.166 0.507 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.49 -34.64 78.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.994 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD23 HG21 ' A' ' 22' ' ' ILE . 1.9 tm? -61.09 -37.78 83.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.334 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -62.07 -45.89 91.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.815 0.341 . . . . 0.0 110.265 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -65.29 -32.46 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.24 0.543 . . . . 0.0 110.201 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -70.54 -30.97 67.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.436 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.89 69.84 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.762 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -62.72 -36.34 82.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -60.44 -46.95 88.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.729 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.683 ' HB3' HG21 ' A' ' 8' ' ' VAL . 87.7 mt -78.96 -25.61 43.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.025 -175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.83 17.26 4.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.524 -0.846 . . . . 0.0 113.903 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.886 HD21 HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -125.66 171.83 10.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.882 0.372 . . . . 0.0 110.424 -176.029 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.527 HD22 HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -148.58 -130.23 0.06 Allowed 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 171.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.22 -23.98 51.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.966 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 43' ' ' GLN . 19.2 tp10 -47.54 -50.2 24.35 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 121.593 0.711 . . . . 0.0 109.685 174.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.58 7.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.198 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD12 HD22 ' A' ' 37' ' ' ASN . 79.0 mt -55.96 -34.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 0.0 111.069 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -91.99 -52.85 4.52 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 28.3 tt0 -67.51 -45.39 75.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -172.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.18 -26.47 68.17 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.45 -174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 21.0 m-85 -87.66 -56.91 3.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.7 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -59.36 -43.27 92.85 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.142 0.496 . . . . 0.0 111.38 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -107.55 42.28 1.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.567 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -70.98 -77.13 0.09 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.353 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -137.73 -67.1 0.49 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.599 -173.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -123.7 9.31 8.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.848 -171.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.685 ' HD2' ' O ' ' A' ' 45' ' ' PHE . 76.9 mtt180 -75.09 138.58 42.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.051 0.453 . . . . 0.0 111.402 -174.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.627 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -99.96 128.22 46.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.97 -74.28 0.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.511 0.672 . . . . 0.0 110.282 -174.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 -177.71 3.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.294 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.583 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.0 t -86.91 124.39 33.07 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -43.82 -49.07 8.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.06 -32.7 73.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.248 0.547 . . . . 0.0 111.434 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' ' 5' ' ' SER . 61.4 t -73.07 -34.65 45.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.722 -178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -54.54 -48.78 71.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.134 0.492 . . . . 0.0 109.712 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -54.44 -55.61 27.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.515 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 2.0 ttmm -79.19 -19.01 51.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.886 -168.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.11 -43.19 79.0 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -53.77 -45.27 70.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.158 173.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 36.4 mt-10 -65.31 -46.2 81.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.526 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 59.4 t80 -72.12 -30.76 65.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.006 -174.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 75.1 t -80.53 -50.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.756 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -95.08 -49.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.162 -173.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 47.1 mtp180 -67.74 -34.29 76.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.292 -174.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 13.7 m-70 -83.58 44.96 1.01 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.275 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 11.4 pt20 46.75 26.54 0.56 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.618 1.167 . . . . 0.0 113.184 176.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 39.2 mtp180 68.13 152.54 0.09 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 122.016 0.912 . . . . 0.0 112.002 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 26' ' ' GLU . 16.7 tt -145.9 148.61 17.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.919 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -65.89 148.98 50.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.814 0.34 . . . . 0.0 111.581 -177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.24 -25.21 63.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.733 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.6 -64.81 0.7 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.814 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' HB3' HD11 ' A' ' 22' ' ' ILE . 4.7 tp10 -73.48 -30.69 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.341 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.95 -44.09 94.6 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.001 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -63.62 -42.53 98.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.837 -177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -60.64 -38.31 84.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.438 0.637 . . . . 0.0 110.166 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -69.2 -24.18 64.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.134 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -76.52 -46.3 27.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.101 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -64.92 -30.24 71.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.471 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.56 -53.32 43.63 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.852 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -76.49 -28.27 56.4 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.06 40.57 0.63 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.583 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.724 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 78.8 mt -101.99 134.03 45.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.974 0.416 . . . . 0.0 110.989 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -98.32 160.68 14.13 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.131 170.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.43 -26.14 52.6 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -53.28 -52.04 60.35 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.445 0.64 . . . . 0.0 110.498 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.3 61.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.636 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.99 -51.22 71.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.729 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 48.1 mtp180 -71.16 -27.48 63.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.799 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . 7.2 tt0 -68.06 -18.15 64.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 176.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.99 -36.45 14.95 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.097 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -92.81 -65.79 0.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.816 0.341 . . . . 0.0 111.203 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.7 -58.87 3.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.45 -175.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.799 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 40.5 mt-10 -92.97 37.0 1.02 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.931 -174.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 43.1 t80 -51.99 -68.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.475 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 9.2 pt-20 177.33 -33.44 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.144 0.497 . . . . 0.0 110.475 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -113.94 15.2 18.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.686 -174.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -132.09 104.06 6.6 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.943 -173.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.507 173.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.566 0.222 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -148.77 113.33 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.096 0.474 . . . . 0.0 111.786 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 3' ' ' GLN . 5.3 mt-30 -152.0 154.58 36.29 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 168.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.492 ' O ' ' HB2' ' A' ' 9' ' ' GLU . 2.1 m95 -77.99 136.06 37.9 Favored 'General case' 0 CA--C 1.484 -1.569 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 -173.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.515 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 14.6 m -32.28 117.9 0.24 Allowed 'General case' 0 C--O 1.212 -0.882 0 O-C-N 125.418 1.699 . . . . 0.0 109.516 -168.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -30.94 -43.79 0.05 Allowed 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -79.34 -17.51 54.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.02 0.438 . . . . 0.0 111.824 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 74.3 t -93.78 -44.93 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -174.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 29.8 tt0 -52.61 -40.4 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.454 0.645 . . . . 0.0 109.753 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -65.12 -60.64 2.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.548 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -70.3 -28.38 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.846 -173.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 HD23 ' CE1' ' A' ' 44' ' ' PHE . 18.9 tp -64.18 -43.63 94.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 28.0 tttp -49.76 -46.05 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 0.0 109.811 171.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 29.8 mt-10 -74.53 -31.23 62.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.963 -175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.412 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 10.6 t80 -83.44 -20.67 33.65 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.807 0.337 . . . . 0.0 110.967 -175.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.84 -60.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.416 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -98.78 -36.89 9.67 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -173.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 14' ' ' GLU . 70.7 ttt180 -70.27 -24.04 62.99 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 120.925 0.393 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.412 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 32.6 m80 -92.08 -164.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 172.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -98.78 39.98 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 67.57 177.01 0.25 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.604 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.583 HG21 HD23 ' A' ' 27' ' ' LEU . 8.9 tt -161.0 149.66 5.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.102 -175.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 22' ' ' ILE . 12.4 p -78.09 154.98 30.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.771 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -67.79 -21.52 65.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -57.59 -59.01 5.82 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 110.881 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -72.25 -31.58 65.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.964 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD23 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -61.17 -41.15 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.15 179.507 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -66.29 -49.22 67.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.762 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -30.28 71.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.417 0.627 . . . . 0.0 109.812 -178.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -71.83 -21.87 61.63 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.863 176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -79.87 -43.76 21.7 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.861 -175.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -79.44 -17.88 53.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.058 -174.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 7.9 tpm_? -80.63 -39.89 26.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.976 177.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 72.4 mt -86.67 -35.82 19.1 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.23 40.68 0.62 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.904 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 88.3 mt -88.36 133.56 34.06 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.138 0.494 . . . . 0.0 111.311 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.586 HD22 ' H ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -77.38 159.9 29.15 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.985 167.418 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -65.17 -21.33 66.76 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 123.21 0.319 . . . . 0.0 111.23 -172.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -59.44 -59.08 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.008 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 4' ' ' TRP . . . -55.99 -41.97 75.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.531 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 57.9 mt -56.02 -44.19 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.233 -173.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -90.74 -35.43 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.271 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -57.14 -35.7 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -172.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' CE1' HD23 ' A' ' 12' ' ' LEU . 8.1 m-85 -63.83 -33.83 76.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.66 -178.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' HE2' ' HG ' ' A' ' 27' ' ' LEU . 98.0 m-85 -92.77 -33.24 14.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.835 0.35 . . . . 0.0 110.945 179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 17.8 tp10 -70.05 -59.81 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.902 -178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -96.85 40.29 1.14 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.403 -176.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -69.62 167.6 16.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.706 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -70.74 -4.46 23.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.158 0.504 . . . . 0.0 111.728 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -82.63 -8.37 59.6 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.813 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 85.8 mtt180 -126.2 146.43 49.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.445 179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 C--O 1.248 0.978 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.901 179.464 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 7.3 ptpp? -81.04 112.81 18.77 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.369 0.604 . . . . 0.0 109.74 175.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -110.48 -11.31 14.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.858 -176.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.659 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER 179.79 168.24 1.2 Allowed 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.607 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 29.8 m -58.49 117.42 4.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.12 -42.48 13.8 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.33 -32.25 68.32 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 121.339 0.59 . . . . 0.0 111.013 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG11 HD21 ' A' ' 36' ' ' LEU . 58.7 t -82.16 -31.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.919 -177.289 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.67 -47.36 70.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.711 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 33.6 tt0 -63.6 -58.21 7.66 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.413 175.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HZ3' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.42 -44.73 93.77 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -169.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD23 ' HZ3' ' A' ' 4' ' ' TRP . 26.1 tp -67.77 -37.35 81.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.099 0.476 . . . . 0.0 110.257 -176.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 29.3 ttpt -56.87 -40.6 76.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.087 174.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.711 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.3 mt-10 -69.89 -43.57 71.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.486 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.633 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 74.7 t80 -72.97 -34.82 66.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.726 -174.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.1 t -84.27 -53.88 10.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.605 ' HE2' ' CE1' ' A' ' 48' ' ' PHE . 32.3 mmtp -80.56 -48.27 12.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.992 0.425 . . . . 0.0 111.475 -173.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 14' ' ' GLU . 69.3 mtp180 -89.69 -4.69 57.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.886 -167.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.633 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.8 m80 -110.94 -161.02 0.73 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.047 0.451 . . . . 0.0 111.321 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 43.6 tt0 -72.77 7.93 1.74 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.688 -178.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 69.43 174.0 0.29 Allowed 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.896 0.478 . . . . 0.0 110.406 -174.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 26' ' ' GLU . 7.4 tp -147.52 141.84 19.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.958 0.408 . . . . 0.0 111.487 -174.293 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.0 171.4 14.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.159 175.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.89 -40.79 75.46 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -168.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.22 -56.94 13.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.803 0.335 . . . . 0.0 110.922 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 22' ' ' ILE . 42.3 mm-40 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.583 178.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.3 tm? -57.44 -54.49 46.27 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 173.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -69.89 -36.47 75.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.591 -176.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.25 -40.25 93.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.975 0.417 . . . . 0.0 110.716 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -72.52 -24.11 61.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.711 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.55 -42.76 67.48 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.535 -179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.06 -24.8 61.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.007 -176.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -73.85 -33.6 64.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.921 0.391 . . . . 0.0 110.498 177.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 88.1 mt -94.49 -20.04 20.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.931 -174.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.74 41.47 1.58 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.132 -1.032 . . . . 0.0 113.218 176.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 HG11 ' A' ' 8' ' ' VAL . 31.4 mt -100.81 138.59 37.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.648 0.737 . . . . 0.0 112.388 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -91.75 164.98 13.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.325 170.694 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.3 mp0 -66.97 -18.25 65.3 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -173.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 9.5 tp10 -50.55 -58.2 6.35 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.558 0.694 . . . . 0.0 110.023 176.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.25 -36.63 69.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.81 -177.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 37' ' ' ASN . 65.6 mt -60.02 -47.28 92.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.02 -176.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -79.67 -38.82 32.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.689 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.889 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 11.6 tt0 -64.88 -31.56 72.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.344 -173.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -58.67 -34.74 71.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.979 178.197 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -92.41 -40.81 10.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.649 178.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.889 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 7.4 pt-20 -67.08 -34.21 77.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.208 0.528 . . . . 0.0 110.634 -174.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' A' ' 46' ' ' GLU . 39.7 mt-10 -118.16 46.36 1.8 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.816 0.817 . . . . 0.0 109.802 176.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CE1' ' HE2' ' A' ' 17' ' ' LYS . 17.1 t80 -74.31 168.99 18.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.392 -178.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -11.15 60.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.467 -176.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -93.95 6.2 49.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.958 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -115.4 170.83 8.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.233 179.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.985 -169.127 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.743 0.306 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.54 11.69 38.92 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -169.181 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.403 HE22 ' HG2' ' A' ' 43' ' ' GLN . 55.5 mt-30 -149.71 -56.32 0.18 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.884 0.849 . . . . 0.0 110.051 -176.117 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.714 ' HD1' ' H ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -122.34 149.86 43.19 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.902 176.892 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.8 m -55.44 130.59 43.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.511 0.507 . . . . 0.0 110.654 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 42.6 tt0 -43.61 -48.77 7.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -69.89 -21.95 63.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.511 . . . . 0.0 111.44 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.748 HG11 HD21 ' A' ' 36' ' ' LEU . 57.9 t -81.38 -32.43 11.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.119 177.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.679 ' OE2' ' HA ' ' A' ' 6' ' ' GLU . 39.6 mt-10 -51.65 -51.38 56.21 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.226 0.536 . . . . 0.0 110.216 177.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -59.72 -57.53 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.318 176.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -69.49 -41.26 76.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.362 -166.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 43.5 tp -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.506 -178.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -53.37 -52.66 58.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.421 0.629 . . . . 0.0 110.255 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.5 mt-10 -76.91 -22.49 53.28 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.576 -176.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 41.4 t80 -74.52 -27.94 60.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.107 0.479 . . . . 0.0 110.528 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -89.57 -45.33 15.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 177.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -81.55 -55.75 4.47 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 112.247 -176.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.4 mtt180 -96.18 5.14 51.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.098 -166.233 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.0 m-70 -108.63 -156.58 0.59 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.707 0.289 . . . . 0.0 110.824 177.586 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 23.2 mp0 -84.92 8.75 16.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -175.208 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 62.39 178.9 0.13 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.688 -171.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.683 HG21 HD23 ' A' ' 27' ' ' LEU . 17.4 tt -170.67 152.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.362 -171.51 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.6 p -75.97 162.98 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.907 0.384 . . . . 0.0 111.009 177.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.46 -42.21 83.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.865 -174.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.27 -47.37 85.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.949 0.404 . . . . 0.0 110.893 -179.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -67.85 -34.92 77.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.164 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.683 HD23 HG21 ' A' ' 22' ' ' ILE . 1.8 tm? -65.41 -48.04 74.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.632 -179.131 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -65.41 -35.47 81.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.492 -176.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.86 -44.2 93.85 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.739 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.18 -47.67 78.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.659 179.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -71.82 -20.44 61.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.523 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -73.21 -26.79 61.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.612 179.035 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HG22 ' A' ' 8' ' ' VAL . 76.8 mt -101.53 -18.73 15.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.009 -177.124 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.88 39.48 1.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.588 178.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD21 HG11 ' A' ' 8' ' ' VAL . 61.2 mt -108.24 173.91 6.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 122.002 0.906 . . . . 0.0 112.349 -176.073 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -147.88 162.13 39.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 113.732 -1.576 . . . . 0.0 108.821 179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.27 -29.29 46.56 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.431 0.457 . . . . 0.0 111.598 -176.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 25.2 tt0 -47.08 -53.02 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.985 177.467 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.44 -33.78 36.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.625 -177.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 62.2 mt -67.07 -54.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.159 -175.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -66.3 -37.86 86.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -176.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' HG2' HE22 ' A' ' 3' ' ' GLN . 6.5 tp-100 -60.5 -40.43 91.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 177.71 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' O ' ' HD1' ' A' ' 48' ' ' PHE . 20.6 t80 -69.42 -42.08 75.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.978 -178.258 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 47.8 m-85 -79.46 -54.25 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -73.33 -31.74 64.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.61 -0.436 . . . . 0.0 112.052 -172.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -110.19 36.13 3.16 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.519 ' HD1' ' O ' ' A' ' 44' ' ' PHE . 8.3 t80 -44.78 -72.71 0.05 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 113.756 -1.566 . . . . 0.0 112.131 -174.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.7 pt-20 163.67 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.721 0.808 . . . . 0.0 108.894 -177.476 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 22.3 mt-30 -95.91 9.36 40.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.03 -179.145 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -132.18 130.68 41.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.953 -177.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.234 -177.516 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.904 0.383 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -88.94 113.25 24.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.301 -177.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -128.43 -59.49 1.15 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 109.824 179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.739 ' CZ3' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -106.02 -173.2 2.24 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 176.378 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.657 ' HB3' HG23 ' A' ' 8' ' ' VAL . 26.6 t -89.06 132.69 34.65 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 156.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -40.07 -45.9 2.04 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -68.25 -27.29 66.22 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.009 0.433 . . . . 0.0 111.452 -178.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.673 HG11 HD21 ' A' ' 36' ' ' LEU . 68.1 t -76.36 -34.28 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.93 -176.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.569 ' HG2' ' CG ' ' A' ' 4' ' ' TRP . 42.2 mt-10 -51.07 -44.99 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.714 . . . . 0.0 109.913 178.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.81 -48.05 67.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.716 177.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -74.32 -37.83 63.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -170.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD23 ' CZ3' ' A' ' 4' ' ' TRP . 34.4 tp -71.65 -31.59 67.0 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.375 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -50.55 -48.06 57.52 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.776 0.798 . . . . 0.0 109.758 172.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' HB3' ' HD3' ' A' ' 18' ' ' ARG . 42.8 mt-10 -74.72 -29.41 61.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.645 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 4.0 t80 -70.9 -25.76 62.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.333 0.587 . . . . 0.0 110.229 -179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -90.62 -49.52 13.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.222 176.226 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -75.93 -62.7 1.51 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -173.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' A' ' 14' ' ' GLU . 6.3 ptm180 -93.25 25.74 3.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 111.215 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.536 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 30.1 m80 -129.03 -163.33 1.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.022 173.878 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 9.2 pt20 -81.75 19.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.353 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 22' ' ' ILE . 98.0 mtt180 73.77 -34.54 0.29 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.303 0.641 . . . . 0.0 111.478 -178.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER 63.12 168.43 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 125.013 1.325 . . . . 0.0 112.67 175.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.4 p -109.0 167.33 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' HB2' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -60.47 -40.43 91.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.683 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.07 -56.53 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.113 175.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -68.42 -35.48 77.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.874 -177.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.732 HD12 HD11 ' A' ' 22' ' ' ILE . 7.3 tt -69.52 -44.97 69.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.101 -176.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . 7.9 t-80 -63.42 -36.05 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.706 0.289 . . . . 0.0 111.009 -175.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.15 -44.3 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.213 0.53 . . . . 0.0 109.936 175.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.15 -32.63 74.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.032 178.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.872 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.24 -45.05 86.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.131 178.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -69.01 -27.09 65.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.036 0.446 . . . . 0.0 110.736 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -70.82 -35.37 72.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.819 177.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' HB3' HG22 ' A' ' 8' ' ' VAL . 82.3 mt -91.68 -34.5 14.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.922 -176.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.38 40.52 0.62 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.269 -178.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.872 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 77.7 mt -102.94 179.18 4.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.941 0.877 . . . . 0.0 112.491 -176.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -154.55 164.83 38.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 113.666 -1.606 . . . . 0.0 107.698 178.538 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 36.9 mt-10 -59.35 -19.29 45.54 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 18.5 tp10 -55.36 -55.9 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.309 0.576 . . . . 0.0 110.071 176.024 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.78 -37.15 56.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.769 -179.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.637 HG23 HD22 ' A' ' 27' ' ' LEU . 73.4 mt -61.44 -54.35 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.353 -175.737 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG2' ' HG3' ' A' ' 46' ' ' GLU . 27.5 ttm180 -74.77 -30.39 61.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.753 -173.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.1 OUTLIER -55.51 -41.2 72.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.871 179.625 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CD1' ' HH2' ' A' ' 4' ' ' TRP . 5.3 t80 -66.4 -25.52 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 -176.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -92.0 -39.88 11.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.08 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 51.0 mt-10 -69.44 -66.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.726 -175.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -66.42 -15.25 63.18 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.389 -172.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 20.8 t80 -57.54 -46.7 83.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.273 -178.082 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -98.0 2.59 49.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.589 -174.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 13.8 mt-30 -90.41 11.14 22.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.704 0.764 . . . . 0.0 109.625 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 34.8 ptt180 -54.83 116.97 3.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.702 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 52' ' ' LYS . 40.4 mtmt . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.409 178.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.078 0.466 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.72 -173.34 2.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.394 -178.075 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.799 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 50.8 tp60 -161.15 -53.79 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.55 145.21 52.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.637 164.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.823 ' HB2' HG23 ' A' ' 8' ' ' VAL . 18.1 m -57.47 141.4 47.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 175.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.39 -45.17 24.98 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -171.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -77.88 -9.79 59.24 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG11 HD21 ' A' ' 36' ' ' LEU . 14.8 t -81.83 -47.24 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -48.95 -50.88 33.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.931 0.872 . . . . 0.0 108.79 170.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -60.53 -69.05 0.24 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 112.625 179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -79.98 -30.38 39.7 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -167.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.605 HD23 ' CE2' ' A' ' 44' ' ' PHE . 34.8 tp -70.56 -31.88 69.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -59.28 -37.87 78.73 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.365 0.603 . . . . 0.0 109.736 170.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.712 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 37.1 mt-10 -71.84 -52.34 17.94 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.273 178.595 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 22' ' ' ILE . 1.3 t80 -53.58 -28.45 32.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 122.706 0.403 . . . . 0.0 111.023 -178.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 22' ' ' ILE . 99.5 t -85.72 -57.68 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 175.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -91.53 -36.39 13.74 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -169.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.712 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -90.71 -52.86 4.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.859 0.361 . . . . 0.0 111.394 -177.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.662 ' HD2' ' HB2' ' A' ' 21' ' ' ARG . 2.2 t60 -71.69 -31.35 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.625 0.726 . . . . 0.0 109.825 -175.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 55.78 28.28 12.08 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 113.945 -1.479 . . . . 0.0 111.061 -178.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 19' ' ' HIS . 57.0 mtp180 -129.46 91.53 3.19 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG21 HG22 ' A' ' 16' ' ' VAL . 8.4 tt -173.68 142.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.591 177.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.0 p -125.44 -179.94 4.84 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.4 -24.09 67.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.092 0.472 . . . . 0.0 110.249 178.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.46 -64.02 1.08 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.564 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -63.01 -40.01 96.46 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 7.3 tt -53.55 -45.42 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.505 0.503 . . . . 0.0 111.49 -173.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -71.48 -46.74 59.02 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.799 -177.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.45 -35.17 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.477 0.656 . . . . 0.0 110.177 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 34' ' ' LEU . 8.3 t80 -75.06 -17.55 60.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.173 178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -74.29 -44.35 53.08 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.241 0.543 . . . . 0.0 109.81 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -71.9 -26.88 62.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.866 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -69.53 -38.97 77.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.909 177.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.8 mt -89.18 -26.5 21.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.793 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.59 40.94 1.17 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 119.989 -1.1 . . . . 0.0 112.45 178.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.848 HD21 HG11 ' A' ' 8' ' ' VAL . 32.2 mt -94.94 172.55 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.527 1.156 . . . . 0.0 113.601 -174.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.635 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -133.97 167.64 20.24 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 112.855 -1.975 . . . . 0.0 107.617 172.697 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.06 -19.77 65.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 117.838 0.29 . . . . 0.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.799 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.5 tp10 -50.36 -57.26 8.36 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.685 0.755 . . . . 0.0 109.816 171.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.25 -41.79 76.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.89 -177.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.64 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.798 -176.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -68.95 -37.42 78.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.945 179.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.53 -44.75 93.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.505 -178.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CE2' HD23 ' A' ' 12' ' ' LEU . 7.3 m-85 -65.11 -23.0 67.02 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 43.6 m-85 -88.11 -62.06 1.58 Allowed 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.514 -0.474 . . . . 0.0 112.052 177.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HG3' ' N ' ' A' ' 47' ' ' GLU . 8.6 pt-20 -81.8 -50.63 9.01 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -170.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 34.0 tt0 -67.64 -20.82 65.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.963 0.411 . . . . 0.0 110.563 -175.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 13.0 t80 -51.09 -60.63 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.01 178.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 12.6 pt-20 -72.21 -8.67 56.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.305 -176.07 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 18.0 mt-30 -89.73 -5.56 56.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -176.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 51' ' ' ARG . 35.9 mtt180 -91.6 100.72 13.4 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.094 -177.049 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 49' ' ' GLU . 69.9 mmtt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.725 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 15.0 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -126.59 121.19 31.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.048 175.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -103.23 9.13 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.941 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.512 ' C ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -161.14 -164.05 1.11 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.428 -175.146 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.545 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 41.6 t -95.97 116.05 28.35 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 165.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.26 -43.52 10.53 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.911 0.484 . . . . 0.0 111.53 175.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -57.61 -45.09 85.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.374 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.545 ' CG2' ' HB3' ' A' ' 5' ' ' SER . 55.1 t -64.24 -47.71 88.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.402 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -55.99 -42.35 76.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.077 0.465 . . . . 0.0 109.974 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -57.05 -58.14 9.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.966 175.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -66.76 -34.65 78.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.147 -175.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 16' ' ' VAL . 11.3 tp -61.01 -50.57 72.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 0.0 109.724 178.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -50.63 -45.7 57.87 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.923 177.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' HG2' ' HD2' ' A' ' 18' ' ' ARG . 28.2 mt-10 -82.52 -10.38 59.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.639 -177.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.644 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 85.7 t80 -91.37 -25.27 19.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.888 0.375 . . . . 0.0 110.051 175.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 82.7 t -71.83 -66.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.212 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -103.61 -27.61 12.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.092 -0.643 . . . . 0.0 112.659 -175.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.639 ' HD2' ' HG2' ' A' ' 14' ' ' GLU . 99.0 mtt180 -83.17 0.07 47.02 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.442 179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 9.9 m80 -137.03 78.69 1.71 Allowed 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 178.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 16.8 pt20 58.19 6.19 0.49 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 168.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.8 mtp-105 71.12 167.4 0.31 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.053 0.454 . . . . 0.0 110.36 -171.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.714 HG21 HD13 ' A' ' 27' ' ' LEU . 8.2 tp -152.54 142.14 14.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 -178.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.8 p -78.73 148.3 33.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.209 173.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.15 -32.37 72.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 -174.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -58.09 -55.48 34.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.041 0.448 . . . . 0.0 110.643 178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.83 -40.46 96.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.493 177.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 22' ' ' ILE . 35.6 tp -63.09 -39.25 94.17 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.794 -177.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -68.9 -42.42 76.9 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.859 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.02 -34.68 76.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.314 0.578 . . . . 0.0 110.074 175.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.468 ' CE2' HD11 ' A' ' 34' ' ' LEU . 6.9 t80 -70.17 -25.88 63.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.155 177.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -70.82 -54.59 11.02 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.114 0.483 . . . . 0.0 110.506 -177.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 -36.8 83.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.718 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.2 tpm_? -66.14 -40.31 90.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB3' HG22 ' A' ' 8' ' ' VAL . 81.4 mt -79.82 -29.13 40.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.51 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.61 39.93 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.941 . . . . 0.0 113.357 177.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 74.5 mt -102.05 132.29 48.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 174.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -86.63 166.45 15.36 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 169.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -59.46 -30.86 68.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.948 0.404 . . . . 0.0 111.449 -173.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.95 -51.82 66.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.26 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.68 -27.16 68.49 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.681 -176.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 37' ' ' ASN . 28.7 mt -71.35 -51.54 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.535 178.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -58.04 -42.15 84.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.171 173.721 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.04 -37.73 61.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.102 -0.953 . . . . 0.0 111.784 -178.583 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.5 t80 -84.58 -33.42 23.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.166 -175.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HZ ' HD23 ' A' ' 27' ' ' LEU . 42.0 m-85 -80.42 -43.41 21.03 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -71.58 -57.92 3.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.942 0.401 . . . . 0.0 111.776 -172.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 49.2 mt-10 -84.45 23.34 1.13 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.291 -174.398 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 32.7 t80 -82.98 -30.32 28.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.058 -177.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.1 -29.98 58.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.6 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -104.64 17.41 24.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.709 -174.323 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -122.08 41.77 3.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.873 0.368 . . . . 0.0 111.05 -178.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.115 -0.945 . . . . 0.0 110.549 175.05 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttp . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.536 0.208 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -103.15 -33.37 9.24 Favored 'General case' 0 CA--C 1.518 -0.276 0 C-N-CA 120.275 -0.57 . . . . 0.0 112.432 -173.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.61 ' HB3' ' HB2' ' A' ' 40' ' ' ALA . 12.5 mt-30 -163.65 -56.89 0.04 OUTLIER 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.192 -175.262 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CD1' ' HB1' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -99.35 174.22 6.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.448 0.642 . . . . 0.0 111.577 179.177 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.76 ' HB3' HG23 ' A' ' 8' ' ' VAL . 42.0 t -76.3 121.65 23.28 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.208 170.016 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.71 -24.92 24.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.683 0.278 . . . . 0.0 111.46 178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 7' ' ' ASN . 0.9 OUTLIER -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.221 0.534 . . . . 0.0 110.326 177.846 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG23 ' HB3' ' A' ' 5' ' ' SER . 18.6 t -83.14 -49.22 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.202 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 4.6 tm-20 -45.41 -44.06 11.73 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.498 0.499 . . . . 0.0 110.245 173.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.9 tt0 -55.94 -67.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.681 175.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.3 ttmp? -76.86 -27.54 55.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.368 -166.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' HG ' ' A' ' 27' ' ' LEU . 50.7 tp -74.21 -37.62 63.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.966 0.413 . . . . 0.0 109.983 178.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.5 ttpt -61.35 -39.43 90.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.758 174.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 12.3 mm-40 -53.87 -48.72 69.75 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.507 173.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.936 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.1 m-30 -59.08 -59.57 5.26 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' ARG . 43.3 t -62.08 -38.4 80.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -170.288 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -107.23 -18.25 13.93 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -173.14 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -125.64 -28.68 3.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.665 -0.414 . . . . 0.0 112.08 -168.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 24.4 m-70 -108.24 66.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -175.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 14.7 pt20 52.18 16.4 0.56 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.662 1.185 . . . . 0.0 113.605 174.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 57.2 mtt-85 64.98 174.94 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.27 0.557 . . . . 0.0 111.609 178.196 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -161.21 136.33 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.725 -176.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.44 152.16 44.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.68 0.276 . . . . 0.0 111.501 -179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.77 -41.65 87.08 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.401 -170.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.74 -51.85 66.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.713 0.292 . . . . 0.0 110.929 -176.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.48 -39.08 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.221 0.534 . . . . 0.0 109.739 178.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 12' ' ' LEU . 7.5 tt -58.49 -39.58 80.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.685 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -64.52 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.833 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.52 -38.81 81.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.171 0.51 . . . . 0.0 109.932 178.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 40.1 t80 -68.76 -31.25 70.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.17 177.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.97 72.57 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.174 -179.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' OE1' HD11 ' A' ' 41' ' ' ILE . 5.3 mm100 -70.22 -26.75 64.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.634 -176.613 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -63.9 -44.77 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.708 177.272 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.62 ' HB3' HG22 ' A' ' 8' ' ' VAL . 42.0 mt -81.66 -25.95 35.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.154 -176.299 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.99 39.71 0.58 Allowed Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.35 -0.928 . . . . 0.0 113.487 178.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD2' ' HB3' ' A' ' 4' ' ' TRP . 2.8 mt -98.68 147.75 24.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 111.06 176.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -109.82 146.07 35.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.815 168.754 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.2 mt-10 -47.63 -39.81 18.0 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.563 0.54 . . . . 0.0 111.985 -175.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' HB3' HD22 ' A' ' 37' ' ' ASN . 28.0 tt0 -50.95 -52.01 46.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.331 176.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 3' ' ' GLN . . . -81.27 -18.87 44.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.563 -174.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 37' ' ' ASN . 41.6 mt -65.28 -49.12 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -57.58 -44.29 85.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.392 172.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 54.9 tp60 -57.99 -45.57 86.58 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.091 179.835 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 71.0 t80 -61.45 -28.27 69.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -81.74 -50.29 9.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.24 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.5 pt-20 -71.3 -37.96 71.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.038 0.446 . . . . 0.0 111.725 -174.493 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 -16.44 60.53 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.221 177.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.3 OUTLIER -79.66 -70.01 0.54 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 170.827 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 19.6 tt0 33.0 47.05 0.1 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.147 1.379 . . . . 0.0 112.351 176.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 49' ' ' GLU . 2.8 pt20 44.56 27.52 0.25 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.604 1.19 . . . . 0.0 112.61 178.744 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -76.56 104.46 7.08 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.146 0.498 . . . . 0.0 110.496 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 52' ' ' LYS . 3.6 ptmm? . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.413 -179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.656 0.265 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 61.15 70.47 0.61 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.577 -172.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.687 ' HG2' ' HG2' ' A' ' 39' ' ' GLU . 59.2 tp60 -91.13 -35.89 14.31 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 175.193 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -84.99 177.12 8.05 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.782 164.648 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 8' ' ' VAL . 34.5 t -85.34 117.1 24.06 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 166.726 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -36.53 -49.31 0.73 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.872 0.732 . . . . 0.0 112.972 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.37 -38.38 80.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.87 -178.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' HB3' ' A' ' 5' ' ' SER . 64.9 t -63.28 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.156 -176.199 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -56.07 -41.58 75.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.75 -178.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 17.1 tt0 -57.35 -58.83 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.873 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 5.9 ttmm -78.08 -18.44 55.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.509 -168.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.7 tp -66.35 -46.06 78.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.769 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 36.8 ttpt -56.78 -44.35 81.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.149 175.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 39.9 mt-10 -61.96 -43.48 98.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.021 179.345 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -24.38 62.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.113 -176.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 12' ' ' LEU . 90.6 t -85.26 -66.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.461 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.567 ' HD3' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -93.81 -24.89 17.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.012 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.567 ' HG3' ' HD3' ' A' ' 17' ' ' LYS . 74.2 mtp180 -84.63 -1.83 56.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.94 0.4 . . . . 0.0 110.776 177.359 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -118.37 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.892 175.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -88.54 26.19 1.53 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.678 0.275 . . . . 0.0 110.414 -178.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 21' ' ' ARG . 36.7 ttt180 69.76 150.52 0.09 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.901 -176.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG23 HD12 ' A' ' 27' ' ' LEU . 11.6 tt -134.03 143.74 37.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.52 178.309 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.34 149.73 47.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.453 -178.022 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.69 -36.24 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.329 -175.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.5 -60.96 2.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.802 0.334 . . . . 0.0 111.077 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.28 -27.97 67.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.018 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HG23 ' A' ' 22' ' ' ILE . 10.5 tt -68.09 -38.36 82.25 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 178.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -65.88 -39.38 90.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.003 0.43 . . . . 0.0 110.095 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.7 -38.57 91.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.57 -29.85 70.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 175.078 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -71.04 -52.94 16.6 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.058 178.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.63 -36.71 79.32 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.245 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 3.5 tpm_? -63.99 -37.8 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.364 -179.716 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' HB3' HG22 ' A' ' 8' ' ' VAL . 65.9 mt -88.26 -25.07 23.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.507 -177.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.76 40.79 0.59 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.353 176.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.798 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 37.7 mt -109.34 134.89 51.25 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.318 0.58 . . . . 0.0 111.888 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 HD21 ' HG3' ' A' ' 3' ' ' GLN . 0.2 OUTLIER -101.24 160.43 14.41 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.651 168.255 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -48.38 -37.8 17.81 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.687 ' HG2' ' HG2' ' A' ' 3' ' ' GLN . 7.2 tp10 -46.49 -49.39 18.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.579 0.704 . . . . 0.0 110.756 177.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 4' ' ' TRP . . . -79.62 -32.22 41.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.111 -175.751 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 37' ' ' ASN . 47.7 mt -67.05 -42.51 88.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.064 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -71.89 -24.73 61.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.819 -178.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 39' ' ' GLU . 16.2 mm100 -61.11 -41.05 95.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.541 172.361 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 6.6 t80 -84.8 -25.55 28.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.314 -176.323 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 7.3 m-85 -94.09 -70.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.417 0.627 . . . . 0.0 112.134 178.372 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 50.1 mt-10 -79.79 -17.86 52.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.682 -166.261 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -98.24 -5.68 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.262 0.553 . . . . 0.0 110.26 175.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 3.0 t80 -75.54 -62.99 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.375 0.607 . . . . 0.0 111.121 -174.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 51' ' ' ARG . 9.1 pt-20 -169.33 -24.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.922 -1.036 . . . . 0.0 110.824 -173.657 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.457 HE21 ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -79.86 33.54 0.27 Allowed 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.446 0.641 . . . . 0.0 109.35 172.563 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 49' ' ' GLU . 84.2 mtt180 -66.56 98.74 0.53 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.139 -177.248 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.068 178.574 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 127.67 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.602 ' HG3' ' H ' ' A' ' 4' ' ' TRP . 22.7 pt20 -144.14 -55.03 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.049 0.452 . . . . 0.0 110.366 -174.032 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.602 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -98.1 171.47 8.23 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 167.711 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.665 ' HB2' HG23 ' A' ' 8' ' ' VAL . 69.7 m -92.13 127.67 37.69 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 167.237 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -47.5 -36.07 9.73 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -175.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -70.62 -30.9 67.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.295 0.569 . . . . 0.0 110.438 -177.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 5' ' ' SER . 45.7 t -75.26 -45.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.917 178.43 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -52.2 -43.08 64.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.347 -178.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 12.4 tp10 -63.38 -54.76 31.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.238 178.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 37.3 ttpt -75.25 -31.01 60.67 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -172.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 16' ' ' VAL . 41.4 tp -60.48 -47.17 87.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.319 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 28.1 ttpt -53.33 -44.94 68.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.54 175.092 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 40.7 mt-10 -65.11 -42.16 94.21 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.819 178.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HA ' ' CB ' ' A' ' 19' ' ' HIS . 43.9 t80 -73.01 -24.53 60.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.9 -173.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 12' ' ' LEU . 52.1 t -95.86 -24.29 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -176.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -116.7 -34.0 4.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -101.01 -38.21 8.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.282 0.563 . . . . 0.0 110.061 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 15' ' ' PHE . 3.1 t60 -82.4 51.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.039 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 37.2 mt-30 68.72 -92.85 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.715 -172.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 27.4 mtp85 177.99 166.19 0.72 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.786 1.234 . . . . 0.0 108.781 -173.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 26' ' ' GLU . 19.0 tt -155.14 148.78 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.731 0.301 . . . . 0.0 110.701 176.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 159.71 31.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.196 176.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.28 -36.25 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -171.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.11 -54.42 25.75 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.754 -175.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 22' ' ' ILE . 1.9 mp0 -66.59 -25.41 66.61 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.8 tt -65.08 -42.39 94.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.591 175.204 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -62.15 -39.96 94.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.258 178.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -58.06 -35.96 72.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.197 0.522 . . . . 0.0 109.762 177.174 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -80.46 -21.88 41.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.27 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -82.52 -49.24 10.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.437 -177.032 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 6.8 tp60 -68.17 -23.22 64.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.963 178.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -67.94 -39.13 83.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 175.043 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 8' ' ' VAL . 88.7 mt -96.43 -24.08 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -172.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.09 40.72 0.58 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.831 -1.176 . . . . 0.0 113.818 176.403 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 17.0 mt -108.59 134.02 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.577 0.688 . . . . 0.0 111.899 -177.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.582 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -87.18 160.96 18.32 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.225 171.751 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 41' ' ' ILE . 45.2 mt-10 -57.86 -29.73 65.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -174.356 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -56.35 -51.3 68.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.129 0.49 . . . . 0.0 110.542 176.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -71.18 -33.5 70.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.636 -178.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 37' ' ' ASN . 58.3 mt -64.29 -46.43 93.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.979 179.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -72.14 -31.84 66.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.454 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 58.3 tt0 -58.03 -36.38 72.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.142 -178.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 3.1 m-85 -70.08 -20.1 63.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 0.0 111.924 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 98.1 m-85 -92.54 -55.37 3.42 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-O 121.196 0.522 . . . . 0.0 110.769 172.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 50' ' ' GLN . 13.5 pt-20 -73.65 -41.95 62.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.673 -170.277 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.645 ' HA ' ' HG3' ' A' ' 51' ' ' ARG . 14.6 mt-10 -96.59 15.49 21.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.824 0.345 . . . . 0.0 111.731 -177.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -90.03 -66.38 0.93 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 175.178 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.51 3.52 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.843 -178.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 18.3 mm100 -98.75 13.54 31.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.732 0.777 . . . . 0.0 109.539 -179.042 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.645 ' HG3' ' HA ' ' A' ' 47' ' ' GLU . 76.4 mtt180 -73.59 122.94 23.05 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.145 176.27 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.91 -177.771 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HG2' ' H ' ' A' ' 3' ' ' GLN . 57.2 ttp . . . . . 0 N--CA 1.481 1.091 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -91.23 20.5 5.05 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -176.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 1' ' ' MET . 36.5 mt-30 -108.97 143.38 38.32 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.65 151.06 1.23 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 168.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.576 ' HB2' HG23 ' A' ' 8' ' ' VAL . 2.4 m -49.06 101.92 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -36.04 -44.86 0.4 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -173.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -61.85 -32.33 72.66 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.252 0.548 . . . . 0.0 111.294 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.686 HG22 ' HB3' ' A' ' 34' ' ' LEU . 85.4 t -70.05 -51.81 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.561 179.357 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -38.91 -52.78 1.76 Allowed 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.876 0.735 . . . . 0.0 111.112 175.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 32.2 tt0 -57.35 -57.56 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.949 178.869 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 1.1 ttmp? -79.82 -19.8 47.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -170.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD23 ' CD2' ' A' ' 44' ' ' PHE . 12.9 tp -67.25 -43.43 81.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 175.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -60.55 -38.65 85.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.103 173.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 41.3 mt-10 -65.6 -46.24 80.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.723 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 24.9 t80 -74.66 -16.41 60.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.604 -173.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.5 t -96.2 -55.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 111.114 176.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 1.9 mmmp? -88.74 -35.94 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -172.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -101.19 4.54 42.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.977 0.418 . . . . 0.0 111.322 -172.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.521 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 2.0 t60 -115.12 -160.93 0.76 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.389 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.512 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 76.3 mt-30 -82.77 14.96 2.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 67.1 176.08 0.25 Allowed 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.464 0.478 . . . . 0.0 110.65 -175.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 14.1 tt -168.71 148.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.445 -177.271 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.51 161.68 28.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.881 0.372 . . . . 0.0 111.079 177.62 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.32 -33.58 69.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -168.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.33 -52.11 56.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.673 0.273 . . . . 0.0 111.076 -177.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 1.9 tm? -59.67 -43.49 93.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.061 177.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -59.8 -40.22 87.63 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.071 0.463 . . . . 0.0 110.069 178.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 17.1 mm100 -65.67 -34.76 78.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.523 178.252 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -76.3 -25.56 54.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.679 179.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.67 -50.91 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.256 0.55 . . . . 0.0 110.661 -179.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -67.9 -20.4 65.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.468 0.651 . . . . 0.0 109.854 177.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 24.1 ttm180 -74.72 -13.86 60.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.63 178.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.686 ' HB3' HG22 ' A' ' 8' ' ' VAL . 69.6 mt -113.95 -17.48 11.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.498 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.54 25.9 2.52 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.281 -0.961 . . . . 0.0 113.861 175.838 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 HD11 HG11 ' A' ' 8' ' ' VAL . 58.0 mt -97.4 136.36 37.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 117.646 0.723 . . . . 0.0 111.806 -179.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -83.35 159.8 21.78 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 167.27 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 41' ' ' ILE . 23.7 mt-10 -54.82 -32.94 60.98 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.47 -57.24 13.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 177.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.587 ' HA ' ' HB3' ' A' ' 43' ' ' GLN . . . -62.92 -24.43 67.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.972 -174.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 37' ' ' ASN . 38.3 mt -65.22 -49.65 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.117 0.484 . . . . 0.0 110.343 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -77.15 -28.02 54.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.61 175.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.587 ' HB3' ' HA ' ' A' ' 40' ' ' ALA . 23.6 tt0 -64.74 -26.8 68.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.477 177.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 66.7 t80 -86.02 -49.95 7.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.36 176.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.505 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 2.7 m-85 -71.43 -66.1 0.67 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.417 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.544 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 49.7 mt-10 -81.87 -9.65 59.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.913 -170.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' GLN . 44.9 mt-10 -118.04 26.76 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.203 176.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 4.9 t80 -76.49 170.92 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.373 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.14 -3.79 14.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.781 -178.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -90.56 -8.06 51.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 -179.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' HD2' ' O ' ' A' ' 46' ' ' GLU . 48.0 ttt180 -73.27 125.56 28.07 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 120.967 0.413 . . . . 0.0 110.666 -179.397 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HB2' ' NZ ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.606 -178.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp 60.05 26.91 16.27 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 168.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -148.51 -55.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.214 0.53 . . . . 0.0 109.927 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.87 ' HB2' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -137.45 166.11 24.64 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.243 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.664 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 8.9 m -53.53 128.88 30.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 123.448 0.467 . . . . 0.0 111.017 -174.744 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -49.01 -43.35 40.31 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.121 0.968 . . . . 0.0 113.116 -172.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' A' ' 7' ' ' ASN . 8.6 m120 -74.87 -28.62 60.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.035 0.445 . . . . 0.0 111.441 -179.508 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 36' ' ' LEU . 61.6 t -69.19 -36.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.036 -179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' HG2' ' NE1' ' A' ' 4' ' ' TRP . 43.9 mt-10 -51.49 -49.93 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.901 179.287 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 12.6 tt0 -67.13 -52.41 42.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.427 178.751 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 11' ' ' LYS . 38.2 ttmt -68.53 -40.53 80.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.123 -170.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD23 HG13 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -62.82 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 110.253 178.35 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 58.2 tttt -49.04 -53.32 20.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.96 176.277 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.71 -20.66 35.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.845 -173.609 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 27.2 t80 -76.57 -19.44 57.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.294 0.569 . . . . 0.0 110.431 -179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.94 -42.81 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 175.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.38 -54.09 5.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -87.13 -8.27 57.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.038 0.447 . . . . 0.0 111.099 -171.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 8.7 m-70 -101.57 -150.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.827 177.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.455 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 15.7 mm100 -87.38 14.38 8.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 60.02 84.56 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -178.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.818 HD11 ' HB3' ' A' ' 26' ' ' GLU . 17.0 tt -80.17 143.45 12.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -177.412 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 p -91.18 169.48 10.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.625 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.89 -31.83 60.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.394 -175.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -46.73 -70.6 0.09 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.239 0.542 . . . . 0.0 110.904 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 22' ' ' ILE . 30.6 tt0 -83.68 -18.46 37.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.652 -175.532 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 8.6 tt -66.17 -41.55 90.16 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -70.54 -39.46 74.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -59.67 -40.52 88.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -71.32 -22.79 61.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.781 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.41 -54.09 28.31 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 120.977 0.418 . . . . 0.0 110.312 -179.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -78.33 -11.39 59.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.11 0.481 . . . . 0.0 110.677 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 1.1 tmt_? -71.65 -34.64 69.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.141 173.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -102.14 -24.22 13.96 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.151 -176.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.87 40.71 0.59 Allowed Glycine 0 CA--C 1.516 0.15 0 C-N-CA 119.835 -1.174 . . . . 0.0 113.916 175.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.87 HD22 ' HB2' ' A' ' 4' ' ' TRP . 27.2 mt -104.95 142.97 33.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.483 0.658 . . . . 0.0 112.65 -174.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.03 160.11 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.005 169.181 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 41' ' ' ILE . 18.6 tt0 -70.97 -13.73 62.11 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -172.393 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -52.54 -52.91 52.49 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.494 0.664 . . . . 0.0 109.888 175.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -36.01 61.34 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.963 -178.748 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' GLU . 58.0 mt -61.5 -50.37 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.387 0.613 . . . . 0.0 110.214 -178.329 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 42' ' ' ARG . 31.5 ttp180 -60.71 -43.39 97.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.21 178.037 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -67.26 -32.41 73.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.975 -176.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 37.0 t80 -72.04 -25.76 61.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.126 -177.859 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 39.0 m-85 -93.21 -52.92 4.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 111.468 177.562 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -67.34 -59.41 3.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.198 -171.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.791 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 30.5 tt0 -94.62 33.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.867 -174.163 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 49' ' ' GLU . 5.3 t80 -90.22 -174.16 4.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.159 -179.56 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.583 ' HG2' ' CD2' ' A' ' 48' ' ' PHE . 16.1 pt-20 -58.32 -18.59 28.39 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 175.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -67.71 -25.19 65.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.196 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.791 ' HD2' ' HA ' ' A' ' 47' ' ' GLU . 12.4 ttt180 -72.15 123.44 22.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 -175.009 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.6 pttp . . . . . 0 C--O 1.249 1.058 0 O-C-N 124.504 1.127 . . . . 0.0 112.456 178.631 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.774 0.321 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -77.38 155.19 32.05 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -128.03 -76.38 0.57 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.052 0.454 . . . . 0.0 110.792 -172.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CZ3' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -97.0 -173.78 2.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.097 179.143 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.754 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.3 m -73.4 120.98 19.76 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 166.225 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' HA ' ' CZ3' ' A' ' 4' ' ' TRP . 33.1 tt0 -50.5 -43.2 55.58 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 123.455 0.472 . . . . 0.0 111.794 -171.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 10' ' ' GLU . 46.9 t30 -63.3 -31.21 72.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.218 -179.067 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.9 t -67.44 -45.99 84.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.491 -173.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -54.25 -43.84 71.28 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.238 0.542 . . . . 0.0 109.819 177.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 8.3 tp10 -55.69 -61.81 2.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.054 178.489 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 36.8 ttpt -75.9 -18.39 59.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.62 -172.194 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.9 tp -68.1 -43.93 77.37 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 5.0 tttt -56.93 -43.13 81.17 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.995 172.437 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 8.9 mm-40 -59.51 -43.37 93.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.244 177.448 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 8.5 t80 -76.81 -14.87 59.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.458 -174.372 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' LEU . 87.7 t -95.95 -60.0 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.855 0.36 . . . . 0.0 111.251 178.08 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -76.27 -42.45 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.043 0.449 . . . . 0.0 111.85 -173.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -90.46 13.22 16.27 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.36 0.6 . . . . 0.0 110.518 -173.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.572 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 74.1 m80 -132.46 -169.09 2.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.864 175.287 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -86.58 29.62 0.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.697 0.284 . . . . 0.0 110.878 -179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 65.23 177.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.719 -178.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.1 tt -154.87 145.38 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.429 179.138 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.0 p -75.62 158.06 32.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.346 177.366 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 22.5 tt0 -64.83 -21.7 66.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.235 0.541 . . . . 0.0 109.702 178.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.08 -68.67 0.15 Allowed 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.707 174.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.11 -25.01 60.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.104 -177.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 9.2 tt -66.01 -38.72 89.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.344 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -67.24 -40.53 86.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.138 179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -37.41 87.38 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -67.93 -31.18 70.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.575 179.178 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.628 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -64.11 -46.58 83.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.788 -179.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -73.57 -19.19 60.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -178.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -77.16 -30.25 54.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.224 -179.663 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 mt -100.2 -25.05 14.4 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.379 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.49 41.0 0.55 Allowed Glycine 0 CA--C 1.518 0.232 0 C-N-CA 119.664 -1.255 . . . . 0.0 114.076 177.2 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 33.5 mt -106.51 139.87 40.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.272 -0.546 . . . . 0.0 110.901 177.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -86.09 164.46 17.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 165.148 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' HA ' HD12 ' A' ' 41' ' ' ILE . 27.9 tt0 -59.79 -34.85 73.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 0.0 111.553 -173.119 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.57 -43.59 84.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 178.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -61.82 -34.6 76.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 38' ' ' GLU . 46.6 mt -65.51 -50.1 74.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.15 -179.026 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 42' ' ' ARG . 37.4 ttp180 -63.9 -40.06 95.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.275 177.093 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.757 ' HA ' ' HG2' ' A' ' 46' ' ' GLU . 14.8 tt0 -59.26 -41.33 88.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.648 -177.271 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 68.3 t80 -58.99 -42.34 89.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.613 178.066 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -75.57 -41.42 54.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.527 -179.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.757 ' HG2' ' HA ' ' A' ' 43' ' ' GLN . 11.0 pt-20 -69.55 -51.09 38.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.067 -176.323 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 47.8 mt-10 -65.78 -24.03 66.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.667 -178.43 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 2.1 t80 -53.38 -49.25 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.688 -175.014 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.51 -19.05 31.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 10.8 mt-30 -78.43 -46.26 20.22 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.124 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 36.94 82.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.412 -1.267 . . . . 0.0 114.042 173.664 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.229 175.455 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -68.73 137.36 54.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.214 0.53 . . . . 0.0 111.05 -178.895 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -140.55 -50.83 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.779 177.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.717 ' HE1' ' HB2' ' A' ' 9' ' ' GLU . 11.3 p90 -148.64 168.17 23.53 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 171.211 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.785 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.4 m -52.63 121.1 6.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -47.39 -41.14 19.29 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 122.919 0.488 . . . . 0.0 111.755 -175.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -65.13 -15.44 62.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.838 -178.664 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.853 HG11 HD21 ' A' ' 36' ' ' LEU . 97.3 t -80.51 -34.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.678 -175.644 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 4' ' ' TRP . 28.6 tt0 -53.72 -49.1 68.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.661 179.319 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -68.4 -56.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.867 -1.061 . . . . 0.0 111.499 179.376 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -64.84 -48.58 73.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.257 -170.606 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.04 -34.32 77.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.614 -177.061 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -52.78 -52.29 57.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.31 0.576 . . . . 0.0 110.157 173.392 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.54 -24.39 60.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.251 -176.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.617 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.21 -27.31 56.79 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.819 0.342 . . . . 0.0 110.758 -178.842 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.3 t -92.43 -48.85 13.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.861 0.363 . . . . 0.0 110.64 176.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.21 -59.28 2.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.311 -177.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -86.02 -12.69 49.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.424 -168.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 55.7 m80 -105.46 -168.6 1.48 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.848 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 51.1 mt-30 -80.9 34.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.147 -174.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.699 ' O ' HG22 ' A' ' 22' ' ' ILE . 27.3 ttp180 74.78 -45.71 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.46 0.704 . . . . 0.0 112.589 174.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ARG . 11.6 tt 64.38 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.4 1.48 . . . . 0.0 112.495 -178.789 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -77.18 147.6 36.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.393 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.06 -37.31 74.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.311 -177.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.44 -60.23 3.47 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.191 0.52 . . . . 0.0 110.515 177.021 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.68 -31.98 70.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.375 -178.004 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.52 -46.28 89.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 178.547 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -65.86 -37.74 86.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.671 -175.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -68.0 -37.57 81.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.663 176.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 34' ' ' LEU . 57.3 t80 -65.76 -31.97 73.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.202 176.517 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -63.96 -44.77 91.79 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.038 178.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -68.83 -26.39 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.259 -179.298 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -67.19 -37.44 83.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.502 174.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' VAL . 84.4 mt -83.88 -15.03 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.561 -177.497 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.97 40.24 4.38 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.43 -0.89 . . . . 0.0 111.666 -177.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD21 HG11 ' A' ' 8' ' ' VAL . 14.4 mt -97.28 140.88 31.1 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.621 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -98.26 167.62 10.74 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.245 -1.798 . . . . 0.0 108.217 167.073 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 40.7 mt-10 -66.13 -8.17 22.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -177.21 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.621 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 6.6 tp10 -54.16 -58.07 8.73 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.1 -37.73 66.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.757 -179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 55.5 mt -62.3 -51.33 73.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.063 -175.283 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' OE2' ' A' ' 46' ' ' GLU . 71.0 mtt180 -75.85 -30.1 58.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.379 -178.147 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 19.1 tt0 -55.7 -49.02 74.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.954 -177.771 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.11 -31.53 70.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.0 0.428 . . . . 0.0 111.613 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 73.1 m-85 -94.27 -67.68 0.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' OE2' ' HB3' ' A' ' 42' ' ' ARG . 5.2 pt-20 -70.31 -40.41 74.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -166.146 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 51' ' ' ARG . 37.7 tt0 -138.14 66.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.672 0.749 . . . . 0.0 109.779 -176.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.671 ' HD2' ' HG2' ' A' ' 49' ' ' GLU . 43.7 t80 -62.46 -60.76 3.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.614 -1.175 . . . . 0.0 110.634 -179.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 11.9 pt-20 175.52 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.944 -1.025 . . . . 0.0 108.782 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.705 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 14.1 mt-30 -99.38 -36.15 9.69 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.38 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 29.3 mtt180 -82.73 121.9 27.48 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 168.246 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 pttp . . . . . 0 C--O 1.248 1.014 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.182 -179.344 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HG3' ' HD2' ' A' ' 2' ' ' LYS . 56.9 tpp . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 1' ' ' MET . 5.5 mptp? -96.84 100.72 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -137.43 -69.92 0.45 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' HD1' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -79.24 -176.93 5.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.43 175.233 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.674 ' HB2' HG23 ' A' ' 8' ' ' VAL . 20.0 m -93.96 127.9 39.99 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 164.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -50.03 -44.4 51.32 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.774 0.321 . . . . 0.0 111.49 -177.028 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.0 -44.69 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.42 0.628 . . . . 0.0 110.893 175.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 5' ' ' SER . 60.4 t -69.24 -48.5 67.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.152 -176.38 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.08 -46.42 75.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.31 -178.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 9.4 tp10 -59.37 -49.59 77.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.675 177.329 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -65.35 -40.11 93.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.663 -176.087 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 36' ' ' LEU . 3.3 mm? -60.09 -41.37 92.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.033 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.11 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.939 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.9 mt-10 -65.32 -33.91 77.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.861 -179.791 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.699 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 3.2 t80 -70.69 -32.19 69.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.2 0.524 . . . . 0.0 110.671 -178.144 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.8 t -86.41 -52.93 11.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.01 176.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' HE2' ' CZ ' ' A' ' 48' ' ' PHE . 69.6 mmtt -72.8 -51.99 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.748 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -86.79 -8.14 57.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.752 -170.669 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.699 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 58.4 m80 -108.46 -170.48 1.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.812 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -81.86 23.57 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.52 -176.421 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 63.66 -179.91 0.16 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -171.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.5 tt -157.31 148.32 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 122.188 -0.32 . . . . 0.0 110.738 -175.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.8 155.98 39.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.019 -179.061 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -61.28 -46.7 89.25 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -168.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.71 -50.31 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.951 0.405 . . . . 0.0 110.793 -175.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -64.68 -31.59 72.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.558 178.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' CG2' ' A' ' 22' ' ' ILE . 3.1 tm? -61.67 -49.78 75.14 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.434 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -66.08 -38.71 88.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.626 -177.545 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.19 -41.08 96.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.349 0.595 . . . . 0.0 110.147 176.468 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -66.98 -26.97 67.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.442 -178.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -66.66 -55.61 14.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -178.393 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -67.75 -22.94 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.204 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.12 -39.83 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 178.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 mt -99.74 -26.85 13.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -175.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.01 0.49 Allowed Glycine 0 CA--C 1.517 0.218 0 C-N-CA 119.758 -1.21 . . . . 0.0 113.994 179.201 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HG ' ' A' ' 12' ' ' LEU . 33.2 mt -90.86 166.17 13.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.034 0.445 . . . . 0.0 110.119 170.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -126.95 164.19 22.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 168.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 41' ' ' ILE . 49.7 mt-10 -58.6 -34.63 71.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -167.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 35.1 tt0 -56.88 -53.56 56.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.237 0.541 . . . . 0.0 110.613 175.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' CB ' ' HD1' ' A' ' 4' ' ' TRP . . . -60.69 -32.04 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.2 -178.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.626 HG13 ' O ' ' A' ' 37' ' ' ASN . 21.3 mt -72.47 -38.7 60.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.929 -177.665 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -66.35 -32.57 74.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 176.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 51.7 mt-30 -61.59 -41.56 97.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.434 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -70.25 -25.68 63.48 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.656 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -93.54 -62.05 1.44 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.25 0.548 . . . . 0.0 111.733 176.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 48' ' ' PHE . 23.1 tt0 -78.11 -71.33 0.43 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.243 -171.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 27.7 mm-40 -76.52 20.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.61 0.719 . . . . 0.0 111.991 -173.107 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.523 ' CZ ' ' HE2' ' A' ' 17' ' ' LYS . 24.9 t80 -89.98 -48.14 7.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.021 -179.415 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.687 ' HG3' ' HG3' ' A' ' 50' ' ' GLN . 9.5 pt-20 -172.51 -31.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.761 -179.069 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.687 ' HG3' ' HG3' ' A' ' 49' ' ' GLU . 16.3 mt-30 -91.44 37.6 0.95 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.585 0.707 . . . . 0.0 110.01 -176.522 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 47' ' ' GLU . 24.2 ptt180 -89.47 154.34 20.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.076 -176.682 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 C--O 1.247 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 112.639 178.285 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HB3' HE22 ' A' ' 3' ' ' GLN . 51.2 ttm . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -94.5 106.46 18.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.85 -178.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.564 HE22 ' HB3' ' A' ' 1' ' ' MET . 22.6 mp0 -101.41 -51.94 3.36 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.525 0.679 . . . . 0.0 109.586 179.072 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -78.7 175.1 10.74 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.809 172.802 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.735 ' HB3' HG23 ' A' ' 8' ' ' VAL . 35.8 t -75.7 119.86 20.3 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 168.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -35.96 -45.55 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -77.54 -23.4 50.12 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -176.036 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 ' HB3' ' A' ' 5' ' ' SER . 66.8 t -69.06 -34.8 65.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.358 -178.329 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.32 -53.51 6.66 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.648 0.592 . . . . 0.0 111.022 173.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.4 tt0 -57.58 -54.79 42.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.704 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.0 ttmp? -72.9 -25.97 61.26 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.744 -171.352 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -71.32 -37.14 71.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 174.582 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 34.1 tttp -56.21 -49.63 73.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.299 0.571 . . . . 0.0 109.557 170.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' OE2' ' HD2' ' A' ' 18' ' ' ARG . 49.5 mm-40 -62.15 -46.51 88.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.924 178.706 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 64.0 t80 -69.81 -31.35 69.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.787 -173.264 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.65 -51.94 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.391 . . . . 0.0 111.038 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -86.04 -48.44 8.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.504 -171.403 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' HD2' ' OE2' ' A' ' 14' ' ' GLU . 91.7 mtt180 -95.84 8.34 43.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -170.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.616 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 7.6 m-70 -111.93 20.96 16.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 172.864 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 65.89 28.66 10.65 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.597 177.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.68 173.57 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.212 0.605 . . . . 0.0 111.677 177.917 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.2 tt -169.15 151.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.415 -176.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.9 p -60.44 149.79 33.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.058 0.456 . . . . 0.0 111.9 178.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -60.42 -30.9 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.596 -175.495 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.41 -61.87 2.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 178.384 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.4 -25.15 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.737 -179.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.37 -50.73 64.45 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -66.16 -37.52 85.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.018 0.437 . . . . 0.0 109.997 179.231 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -54.85 -42.1 71.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.07 174.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -76.77 -28.27 55.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.481 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.2 -52.15 37.56 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.359 0.6 . . . . 0.0 110.202 -178.177 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.09 -20.67 64.08 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.432 178.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -71.39 -40.78 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.183 179.156 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -92.5 -18.82 22.67 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 39.48 0.66 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 119.909 -1.138 . . . . 0.0 114.008 174.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' TRP . 53.1 mt -102.58 134.95 45.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.207 0.503 . . . . 0.0 111.062 177.086 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -93.6 158.19 15.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 168.894 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.15 -33.88 42.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -173.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.52 -54.43 45.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.361 174.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' H ' ' ND2' ' A' ' 37' ' ' ASN . . . -68.62 -28.94 67.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.844 -177.757 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 37' ' ' ASN . 51.5 mt -66.66 -51.87 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.947 177.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -67.31 -38.43 84.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.683 178.354 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -51.25 -37.99 50.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.044 178.924 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -69.12 -49.05 60.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 -178.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -66.59 -45.16 80.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.745 -177.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.25 -38.8 88.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.721 -172.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.55 -2.08 58.37 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.65 -177.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 6.6 m-85 -92.08 -88.85 0.19 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 163.831 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 35.64 40.4 0.08 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 124.393 1.077 . . . . 0.0 110.96 -171.937 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 38.27 38.83 0.24 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 124.233 0.958 . . . . 0.0 112.264 179.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 48' ' ' PHE . 1.1 ptp180 -106.76 158.19 17.17 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.223 -177.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.105 175.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.736 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 17.4 tpt . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.736 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 65.0 mttm -127.05 113.63 16.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.839 0.352 . . . . 0.0 110.266 -179.789 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 14.7 mm100 -111.34 11.28 21.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.835 0.826 . . . . 0.0 108.806 179.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.553 ' HB3' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -163.82 -170.74 2.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.166 -171.566 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.8 m -90.51 114.26 26.41 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 167.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -45.22 -42.16 9.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.295 0.638 . . . . 0.0 112.417 179.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -52.08 -39.78 60.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.409 0.623 . . . . 0.0 110.881 176.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.729 HG11 HD11 ' A' ' 36' ' ' LEU . 46.3 t -71.53 -49.35 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.286 -175.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -52.5 -45.49 66.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.216 0.532 . . . . 0.0 110.149 -179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.9 tt0 -53.65 -57.64 10.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.249 175.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' OE1' ' A' ' 14' ' ' GLU . 8.4 ttmm -82.34 -17.26 46.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.9 -169.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 5.4 tp -71.18 -43.89 66.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 174.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 27.7 tttp -51.69 -48.33 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.013 170.756 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG2' HH11 ' A' ' 18' ' ' ARG . 50.5 mt-10 -64.96 -45.55 85.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.803 -179.302 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 9.9 t80 -72.67 -25.06 61.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.798 0.333 . . . . 0.0 111.69 -173.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.4 t -92.17 -54.1 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.211 -0.305 . . . . 0.0 111.32 178.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.621 ' HE3' ' HE2' ' A' ' 48' ' ' PHE . 3.1 tppp? -81.91 -46.09 14.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -174.071 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 HH11 ' HG2' ' A' ' 14' ' ' GLU . 95.5 mtt180 -87.68 -30.54 20.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -173.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' HB3' ' H ' ' A' ' 20' ' ' GLN . 17.9 m-70 -89.03 -151.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.048 0.451 . . . . 0.0 111.318 -179.636 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.524 ' H ' ' HB3' ' A' ' 19' ' ' HIS . 4.0 pt20 -70.17 -12.73 61.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -171.84 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 71.97 122.21 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -173.773 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD11 ' HB3' ' A' ' 26' ' ' GLU . 19.7 tt -128.0 148.71 32.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.751 -167.538 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 p -82.26 163.33 21.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.58 -31.22 72.32 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.015 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -57.82 -61.84 2.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.417 . . . . 0.0 111.043 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 22' ' ' ILE . 18.7 tp10 -68.86 -28.54 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.717 -178.158 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.49 -41.51 97.37 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.597 175.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -66.7 -36.15 81.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.892 -176.01 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.91 -49.45 74.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 175.392 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.0 -30.02 70.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.418 178.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -68.57 -55.34 11.96 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.574 -178.282 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.11 -28.57 68.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.924 0.392 . . . . 0.0 110.799 -177.039 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -65.38 -28.27 69.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.038 175.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 8' ' ' VAL . 93.2 mt -104.1 3.35 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.747 0.308 . . . . 0.0 111.641 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.58 40.27 5.39 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.348 -0.93 . . . . 0.0 113.559 175.235 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HG11 ' A' ' 8' ' ' VAL . 44.1 mt -103.6 136.95 42.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 112.349 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -92.45 155.35 17.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.149 166.656 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 41' ' ' ILE . 1.7 mp0 -55.49 -30.6 60.93 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 122.666 0.387 . . . . 0.0 112.027 -174.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -52.87 -55.83 20.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.296 0.569 . . . . 0.0 110.248 176.454 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' CB ' ' HB3' ' A' ' 4' ' ' TRP . . . -66.39 -35.79 81.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.341 -178.712 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -58.72 -48.72 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.071 -178.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' A' ' 46' ' ' GLU . 63.5 ttt180 -74.4 -35.66 63.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.695 177.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -52.85 -44.53 66.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.609 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 20.5 t80 -95.24 -45.77 7.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.626 -175.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.02 -42.12 94.68 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.354 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' CD ' ' HE ' ' A' ' 42' ' ' ARG . 28.7 tt0 -82.04 -55.5 4.53 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.748 -175.66 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -80.8 33.6 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.593 0.711 . . . . 0.0 110.22 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' HE2' ' HE3' ' A' ' 17' ' ' LYS . 20.7 t80 -73.13 -63.63 1.14 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.314 -178.367 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HG2' ' HD2' ' A' ' 48' ' ' PHE . 11.9 pt-20 -176.88 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.682 -179.81 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.64 25.59 10.59 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -168.662 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 32.2 ptt180 -85.06 176.57 8.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.444 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 48.2 mtpt . . . . . 0 C--O 1.253 1.283 0 O-C-N 124.074 0.858 . . . . 0.0 110.084 -172.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.001 0.429 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -110.06 124.78 52.09 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.432 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.455 ' HB3' ' OE1' ' A' ' 39' ' ' GLU . 17.5 mm100 -114.53 16.0 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.675 0.75 . . . . 0.0 110.673 -169.104 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.528 ' O ' ' HE3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -163.87 -167.97 1.5 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.104 -178.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.57 ' HB2' ' CG2' ' A' ' 8' ' ' VAL . 5.4 m -86.27 111.47 20.47 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 168.32 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -45.94 -42.35 12.79 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.654 -177.214 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -69.44 -24.1 63.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.421 0.629 . . . . 0.0 110.878 -177.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' CG2' ' HB2' ' A' ' 5' ' ' SER . 21.1 t -73.93 -46.31 46.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.071 -174.579 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.2 -35.69 69.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.12 0.486 . . . . 0.0 110.243 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' GLU . 17.3 tt0 -59.2 -60.51 3.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.851 173.847 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -71.78 -25.7 62.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.642 -172.284 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 tp -60.6 -49.72 76.41 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.753 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -61.07 -38.37 85.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.337 177.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 13.0 mm-40 -62.29 -38.28 88.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.951 179.559 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 58.5 t80 -87.86 -19.87 26.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.942 -174.082 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -95.37 -66.54 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.127 0.489 . . . . 0.0 110.631 176.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -64.96 -38.59 91.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.718 -175.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.82 18.6 20.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.836 -170.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 5.8 m80 -136.31 42.46 2.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.402 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 65.16 22.26 12.23 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.655 0.382 . . . . 0.0 111.937 175.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 21' ' ' ARG . 39.5 mtp-105 66.69 175.3 0.24 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.131 0.573 . . . . 0.0 112.017 179.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 27' ' ' LEU . 12.6 tt -157.71 148.32 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.064 179.304 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -68.82 149.93 48.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 178.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tm0? -60.74 -30.15 69.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -178.36 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.01 -68.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.386 177.125 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.31 -27.33 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.188 -177.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 22' ' ' ILE . 2.9 tm? -61.66 -45.51 93.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -67.26 -38.42 85.1 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.459 -178.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -49.7 76.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 175.155 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 34' ' ' LEU . 31.6 t80 -58.8 -37.68 76.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.813 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.71 96.14 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 110.59 -179.541 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -75.6 -21.53 57.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.627 -178.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' A' ' 33' ' ' ARG . 5.3 tpm_? -77.54 -32.62 54.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.503 177.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 30' ' ' TYR . 53.7 mt -82.55 -30.22 29.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.198 178.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 40.09 0.63 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.993 178.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 8' ' ' VAL . 90.7 mt -104.6 137.19 42.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.308 0.575 . . . . 0.0 111.778 -179.467 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.97 156.04 16.49 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.856 168.798 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HA ' HD12 ' A' ' 41' ' ' ILE . 28.3 mt-10 -53.33 -29.74 35.53 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -174.264 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' OE1' ' HB3' ' A' ' 3' ' ' GLN . 36.0 tt0 -53.52 -49.46 67.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 176.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -79.54 -26.95 41.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.012 -177.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 38' ' ' GLU . 72.8 mt -64.64 -55.77 19.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 179.44 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.75 -31.09 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.389 178.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 29.2 tt0 -55.81 -39.44 71.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.799 177.557 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -75.58 -32.74 60.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.379 -177.033 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -79.73 -47.19 15.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.485 ' O ' ' HD3' ' A' ' 51' ' ' ARG . 23.9 mt-10 -79.16 -19.61 50.55 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -113.73 32.0 6.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.712 0.768 . . . . 0.0 109.865 177.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -75.0 162.94 28.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.959 178.71 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.39 -21.35 62.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.901 -173.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -86.45 -27.4 24.14 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -177.127 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 46' ' ' GLU . 34.8 ttt180 -79.08 136.08 37.05 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 121.065 0.459 . . . . 0.0 111.238 -175.595 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.597 -0.716 . . . . 0.0 109.732 177.794 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 3' ' ' GLN . 28.1 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.577 0.227 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -62.54 120.49 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.364 175.647 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 1' ' ' MET . 3.1 pt20 -175.95 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.951 0.405 . . . . 0.0 110.579 -179.615 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.685 ' HD1' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -96.2 -170.44 2.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.626 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.593 ' HB3' HG23 ' A' ' 8' ' ' VAL . 28.6 t -96.4 125.51 40.95 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 168.412 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -49.91 -42.79 48.93 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.336 0.398 . . . . 0.0 110.931 179.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.06 -47.21 86.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.964 177.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' HB3' ' A' ' 5' ' ' SER . 98.1 t -60.72 -51.81 68.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.131 -178.781 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.01 -42.52 72.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.951 179.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 41.9 tt0 -63.08 -50.39 70.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.22 178.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -76.1 -24.41 55.0 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -175.205 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' VAL . 54.3 tp -62.63 -45.08 94.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.196 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 29.0 ttpt -54.65 -40.17 68.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.466 173.653 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 52.4 mt-10 -69.63 -41.51 75.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.972 -178.757 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 9.5 t80 -79.86 -17.88 52.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.966 0.413 . . . . 0.0 111.131 -174.413 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 12' ' ' LEU . 99.9 t -93.22 -57.76 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.819 0.342 . . . . 0.0 110.941 175.447 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -84.04 -35.21 23.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.743 -171.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 85.5 mtp180 -87.28 11.22 14.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.325 0.583 . . . . 0.0 110.773 -178.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 50.9 m80 -130.17 -168.41 1.96 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -88.81 37.91 0.86 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 68.04 178.06 0.24 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.297 -179.191 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 HG23 HD12 ' A' ' 27' ' ' LEU . 9.4 tt -154.02 142.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.119 176.567 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.7 p -79.75 159.77 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.658 0.266 . . . . 0.0 111.125 -178.05 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 27' ' ' LEU . 9.4 tt0 -58.69 -24.95 62.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.301 -177.345 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -48.85 -69.22 0.12 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.29 0.567 . . . . 0.0 110.995 176.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.9 tp10 -78.63 -28.64 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.301 -177.708 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD12 HG23 ' A' ' 22' ' ' ILE . 8.2 tt -61.51 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.447 -178.538 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 -69.85 -41.33 75.01 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.368 -179.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' ARG . 1.1 tm0? -59.66 -41.05 89.72 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 176.702 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.812 -179.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -77.01 -58.72 3.12 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.184 -177.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.47 -15.14 62.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.357 0.599 . . . . 0.0 110.041 179.77 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 9.3 tpt180 -66.22 -48.15 71.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.338 175.006 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' HB3' HG22 ' A' ' 8' ' ' VAL . 75.9 mt -93.68 -18.55 22.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.504 -172.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.5 40.68 0.56 Allowed Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 119.741 -1.219 . . . . 0.0 113.591 178.425 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 69.1 mt -102.36 135.93 43.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.067 0.461 . . . . 0.0 110.806 175.091 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.432 HD22 ' H ' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -94.54 158.21 15.64 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 167.666 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.95 -30.11 61.21 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.898 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -56.46 -48.59 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.167 0.508 . . . . 0.0 110.668 175.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB1' ' HD1' ' A' ' 4' ' ' TRP . . . -65.95 -35.54 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.725 -179.585 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.6 mt -66.15 -47.14 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.881 178.614 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -56.38 -51.64 67.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.663 176.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -53.19 -38.8 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.84 -177.66 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -72.3 -34.11 67.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.47 -173.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.405 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 51.7 m-85 -89.92 -43.31 10.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.264 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.59 ' HG2' ' HG3' ' A' ' 47' ' ' GLU . 19.2 tt0 -70.5 -67.99 0.46 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.127 -174.682 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' ' HG2' ' A' ' 46' ' ' GLU . 30.4 mt-10 -94.22 43.33 1.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.485 0.66 . . . . 0.0 110.892 -173.038 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -77.91 -132.3 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.784 -1.098 . . . . 0.0 108.441 172.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -78.21 -4.24 46.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.669 -0.644 . . . . 0.0 110.439 172.181 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -87.13 36.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -176.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HE ' ' HB2' ' A' ' 51' ' ' ARG . 15.3 mtm180 -99.06 -172.61 2.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.05 179.236 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.4 pttt . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.69 172.739 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -97.0 145.99 25.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -124.09 -78.85 0.6 Allowed 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.422 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.71 ' HD1' ' H ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -89.28 154.52 20.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.843 175.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.809 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.3 t -50.46 131.91 24.88 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 123.548 0.53 . . . . 0.0 110.089 178.641 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.15 -40.52 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.815 -179.181 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -68.65 -34.39 75.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.084 0.469 . . . . 0.0 111.156 -179.699 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.809 HG23 ' HB3' ' A' ' 5' ' ' SER . 45.1 t -69.69 -39.85 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.169 179.167 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG2' ' CE2' ' A' ' 4' ' ' TRP . 2.6 tm-20 -53.84 -35.81 61.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.066 178.422 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.582 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 30.1 tt0 -70.17 -53.84 15.47 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.997 179.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -42.21 73.45 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.89 -33.56 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.066 0.46 . . . . 0.0 110.28 178.086 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 25.1 tttp -53.53 -46.38 70.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.685 175.722 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' HA ' ' HG2' ' A' ' 18' ' ' ARG . 31.9 mt-10 -65.21 -47.33 77.27 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.326 -172.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 19.0 m-30 -64.23 -37.03 86.01 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.825 -178.132 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' HE2' ' A' ' 44' ' ' PHE . 10.7 t -92.34 -37.5 8.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.457 -0.497 . . . . 0.0 112.031 -172.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.723 ' HA ' ' HZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.36 -51.9 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -175.297 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HG2' ' HA ' ' A' ' 14' ' ' GLU . 8.9 ptm180 -91.74 -34.58 14.56 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.036 -0.665 . . . . 0.0 111.239 -173.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 41.7 m80 -83.44 -44.69 14.49 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.571 0.7 . . . . 0.0 110.111 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 56.67 28.31 13.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.974 -1.466 . . . . 0.0 109.643 -174.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 22' ' ' ILE . 99.7 mtt180 -135.7 112.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.637 -174.652 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 21' ' ' ARG . 21.4 tt 172.15 146.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.846 179.411 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 p -90.1 160.18 16.42 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.988 179.088 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.17 -35.41 80.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.664 0.268 . . . . 0.0 111.419 -174.657 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.92 -45.3 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 0.0 110.057 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 29' ' ' GLN . 62.1 tt0 -64.26 -36.8 85.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.373 178.466 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 HG21 ' A' ' 22' ' ' ILE . 1.6 tm? -58.25 -47.86 82.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.798 176.316 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 -72.84 -36.74 67.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.818 -173.097 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.12 -31.66 72.66 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.418 0.628 . . . . 0.0 109.664 178.904 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -76.62 -18.92 58.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.965 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' ' 36' ' ' LEU . . . -71.95 -57.27 4.44 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.239 -178.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.34 -26.16 67.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.998 -177.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 33' ' ' ARG . 6.7 tpm_? -68.84 -39.74 79.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.686 -179.115 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.669 ' HB3' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -94.2 -28.55 15.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -177.552 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.66 40.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.882 -1.152 . . . . 0.0 113.107 -179.355 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD22 HG12 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -87.19 140.4 29.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.409 0.623 . . . . 0.0 110.38 175.933 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.8 OUTLIER -107.21 149.39 27.77 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.266 174.053 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -56.8 -30.31 63.58 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -173.406 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' HB3' HD22 ' A' ' 37' ' ' ASN . 26.1 tt0 -52.23 -50.21 62.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.19 0.519 . . . . 0.0 110.854 177.446 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.32 29.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.459 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.703 HG12 HD22 ' A' ' 36' ' ' LEU . 47.4 mt -61.84 -60.04 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.264 -179.271 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -63.33 -41.74 98.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.029 -178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -61.01 -40.39 93.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.53 -177.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 48' ' ' PHE . 13.3 t80 -69.67 -20.02 63.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.65 0.262 . . . . 0.0 111.071 -177.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -80.55 -63.14 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.552 174.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.28 -41.12 77.25 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.526 0.679 . . . . 0.0 111.198 -172.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' ' HG3' ' A' ' 51' ' ' ARG . 27.0 tt0 -100.13 17.93 19.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.655 -173.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.723 ' HZ ' ' HA ' ' A' ' 17' ' ' LYS . 49.4 t80 -49.59 -44.7 47.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.051 -178.317 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -124.23 11.24 8.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.697 -174.402 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -105.07 17.29 24.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.409 0.623 . . . . 0.0 109.98 -176.676 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.634 ' HG3' ' HG2' ' A' ' 47' ' ' GLU . 50.9 mtt180 -88.05 105.99 17.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.479 -177.106 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttm . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -65.81 122.41 17.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.417 0.627 . . . . 0.0 110.622 -178.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' HG3' ' HG2' ' A' ' 39' ' ' GLU . 78.3 mm-40 -109.54 -52.46 2.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.018 -178.627 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -65.37 156.3 32.65 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 114.919 -1.037 . . . . 0.0 108.601 166.553 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HG23 ' A' ' 8' ' ' VAL . 29.2 t -60.64 125.59 24.27 Favored 'General case' 0 C--N 1.311 -1.065 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 164.275 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -35.95 -43.39 0.32 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 179.647 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.81 -29.44 62.16 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.695 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.649 HG11 HD21 ' A' ' 36' ' ' LEU . 77.5 t -73.7 -34.18 40.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.204 -175.831 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -55.04 -39.34 69.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 109.963 178.205 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -69.23 -54.53 14.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.696 175.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -62.46 -34.22 76.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.398 -174.592 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.01 -39.7 87.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.423 . . . . 0.0 109.887 -179.81 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 4.8 tmmm? -57.67 -42.69 84.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.142 175.308 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 35.5 mt-10 -67.83 -57.93 5.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.075 -178.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -69.31 -15.1 63.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.993 -169.474 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 71.0 t -95.56 -63.21 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.854 177.398 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.629 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.39 -31.34 17.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.763 -171.052 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 94.8 mtt180 -74.37 -45.55 46.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.758 0.314 . . . . 0.0 110.639 178.198 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -76.57 -168.13 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.653 -179.399 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 20' ' ' GLN . 2.8 tt0 -82.17 31.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.135 -177.095 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 66.51 178.75 0.22 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.896 0.478 . . . . 0.0 110.987 -177.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' HD23 ' A' ' 27' ' ' LEU . 11.1 tt -159.74 145.11 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.741 -175.027 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -87.79 165.16 15.52 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.852 0.358 . . . . 0.0 111.35 -178.417 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -58.96 -43.57 91.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -170.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.9 -49.11 76.1 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.15 -177.919 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -58.63 -42.23 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.769 177.399 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 HD23 ' CG2' ' A' ' 22' ' ' ILE . 1.1 tm? -62.74 -53.25 57.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.815 -177.62 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -65.01 -39.6 93.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.956 -175.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -64.34 -39.62 94.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 178.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' CE2' HD11 ' A' ' 34' ' ' LEU . 47.3 t80 -71.69 -29.81 64.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.084 178.609 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.726 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -65.87 -45.48 81.95 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.305 179.363 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -66.96 -26.33 66.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.488 -178.614 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -74.71 -44.61 49.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 178.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 77.4 mt -73.28 -35.39 66.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.344 -179.315 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.3 40.11 0.64 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.637 179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.726 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 83.5 mt -97.02 131.82 43.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.405 0.622 . . . . 0.0 111.729 179.756 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -90.55 160.77 15.78 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.733 170.266 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.14 -24.8 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -171.101 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 43' ' ' GLN . 4.6 tp10 -51.4 -62.99 1.28 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.672 0.749 . . . . 0.0 109.781 172.691 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -64.39 -38.44 91.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.439 -174.004 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 37' ' ' ASN . 53.5 mt -59.57 -44.19 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.513 -177.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -75.71 -33.43 60.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.341 -176.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 39' ' ' GLU . 50.7 mt-30 -61.97 -30.3 70.84 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.973 0.416 . . . . 0.0 111.18 -179.108 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' HD1' ' CH2' ' A' ' 4' ' ' TRP . 0.8 OUTLIER -94.36 -51.3 4.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.92 0.39 . . . . 0.0 111.239 -176.556 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 5.3 t80 -74.08 -56.67 4.65 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -171.524 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.86 -28.82 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.832 0.348 . . . . 0.0 111.665 -170.715 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 43' ' ' GLN . 35.4 tt0 -76.28 -13.71 60.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.004 0.43 . . . . 0.0 111.044 -178.318 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.92 153.67 42.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.295 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.02 -6.46 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.984 0.421 . . . . 0.0 111.23 178.336 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -79.57 -5.55 55.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.72 179.419 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -66.02 165.2 13.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.303 178.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.82 178.052 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.483 1.219 0 CA-C-O 120.734 0.302 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -79.83 84.22 5.65 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -101.01 -54.75 2.73 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.414 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -103.66 -179.48 3.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.945 169.489 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.676 ' HB2' HG23 ' A' ' 8' ' ' VAL . 19.3 m -86.61 125.59 33.92 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 168.885 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -36.05 -51.3 0.73 Allowed 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -176.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -75.39 -25.76 57.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -175.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 5' ' ' SER . 99.1 t -67.45 -49.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.565 -178.5 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -46.95 -47.68 21.69 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.924 0.765 . . . . 0.0 111.114 -176.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.65 -58.91 6.45 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.753 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.52 -32.1 72.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.008 0.432 . . . . 0.0 110.733 -176.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 1.2 tm? -60.58 -46.85 88.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.061 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HB2' ' HZ ' ' A' ' 44' ' ' PHE . 5.6 ttpm? -55.17 -47.03 75.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.447 0.642 . . . . 0.0 110.619 175.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 40.4 mt-10 -77.22 -21.27 54.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.464 -172.723 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' HA ' ' ND1' ' A' ' 19' ' ' HIS . 58.7 t80 -80.26 -22.03 42.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.987 0.423 . . . . 0.0 110.474 179.385 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 21' ' ' ARG . 81.7 t -96.53 -38.42 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.31 177.55 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -98.61 -37.82 9.38 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -171.409 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 82.0 mtp180 -89.05 -24.84 22.22 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.584 -176.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' ND1' ' HA ' ' A' ' 15' ' ' PHE . 45.7 m80 -88.09 32.72 0.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 174.09 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 23.5 mt-30 68.56 -59.96 0.44 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.804 -175.315 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' VAL . 15.9 ttm180 166.6 154.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.684 0.615 . . . . 0.0 110.619 -177.248 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -138.05 149.57 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.6 p -60.47 147.6 40.57 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 111.484 -178.731 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -59.15 -39.18 81.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.727 -178.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.89 -49.98 72.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.641 0.257 . . . . 0.0 110.976 -178.729 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.79 -35.42 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.913 0.387 . . . . 0.0 110.046 177.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.16 -47.08 87.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.909 177.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.78 -34.77 79.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 -177.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -66.19 -46.34 77.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 175.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -66.66 -29.18 69.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.157 178.623 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -61.55 -56.13 23.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.196 177.509 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.33 -29.73 70.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.331 -179.171 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.9 -42.28 99.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.669 176.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -84.09 -22.9 30.99 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.698 -178.6 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.99 35.58 0.88 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.94 179.338 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.632 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 76.0 mt -102.69 130.63 49.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.576 0.703 . . . . 0.0 111.227 178.195 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' H ' ' ND2' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -99.98 159.69 14.89 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.638 171.344 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 34.8 mt-10 -59.37 -16.32 22.0 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -172.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -57.27 -57.02 14.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.479 0.657 . . . . 0.0 109.977 173.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.58 -28.35 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.873 -178.391 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 68.0 mt -67.0 -46.33 85.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.189 -179.632 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 63.7 mtt180 -61.18 -52.91 62.84 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 171.508 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -48.17 -39.52 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.083 -178.198 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' HZ ' ' HB2' ' A' ' 13' ' ' LYS . 5.3 t80 -74.18 -43.2 58.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.383 -175.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -84.56 -43.19 14.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.071 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 42' ' ' ARG . 9.5 pt-20 -65.92 -37.47 86.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.278 0.561 . . . . 0.0 110.119 -176.153 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.01 42.11 1.69 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.498 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -73.48 170.73 14.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.839 -178.124 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.18 -19.87 65.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.704 -176.23 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.94 ' HA ' HE21 ' A' ' 50' ' ' GLN . 0.0 OUTLIER -82.94 0.3 45.1 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.689 -173.158 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 92.9 mtt180 -121.44 5.47 10.15 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.132 0.492 . . . . 0.0 111.061 178.188 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 42.6 mttm . . . . . 0 C--O 1.246 0.882 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.523 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 120.644 0.259 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -137.41 117.47 13.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.366 0.603 . . . . 0.0 112.099 -174.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.533 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 18.4 tp60 -153.69 33.87 0.45 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.396 1.093 . . . . 0.0 108.369 169.818 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.4 p90 -167.07 161.78 15.0 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 -178.113 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.838 ' HB2' HG23 ' A' ' 8' ' ' VAL . 23.7 m -54.97 114.06 1.59 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 172.628 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -49.79 -34.85 20.66 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.578 -173.403 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.55 -19.72 65.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.387 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.838 HG23 ' HB2' ' A' ' 5' ' ' SER . 51.8 t -69.41 -39.43 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.53 -175.156 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -52.65 -53.02 52.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.445 -179.266 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -66.16 -56.43 11.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.865 179.217 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -68.95 -29.95 68.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.203 -170.34 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.38 -37.49 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -56.28 -45.23 80.25 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 173.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.18 -45.03 82.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.411 -178.206 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 5.1 t80 -65.26 -32.35 73.97 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.03 -177.156 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.44 -56.57 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 178.742 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -67.09 -51.67 51.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.727 0.299 . . . . 0.0 111.718 -173.481 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -80.52 -29.77 37.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.429 -172.376 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 32.3 m-70 -100.16 25.65 7.28 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.751 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.12 34.24 19.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 173.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 65.96 177.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.382 -0.827 . . . . 0.0 112.265 175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.96 151.01 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.617 -178.517 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.4 p -63.17 147.98 49.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.692 0.282 . . . . 0.0 111.052 178.241 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -60.69 -35.23 75.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.574 -175.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.69 -52.4 65.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.066 0.46 . . . . 0.0 110.868 178.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.77 -26.06 61.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 -179.515 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 45' ' ' PHE . 25.4 tp -55.22 -48.87 73.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 173.633 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -68.23 -31.32 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.751 0.31 . . . . 0.0 110.353 -176.908 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -64.13 -45.66 87.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.3 0.572 . . . . 0.0 109.601 173.32 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.684 ' CE2' HD11 ' A' ' 34' ' ' LEU . 46.3 t80 -63.56 -37.18 86.35 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.725 178.256 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.71 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.977 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.05 -25.4 59.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.6 -178.721 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -83.83 -11.44 57.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.554 0.692 . . . . 0.0 110.171 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD11 ' CE2' ' A' ' 30' ' ' TYR . 96.4 mt -95.69 -17.4 21.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.603 176.849 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.73 40.02 7.89 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.588 -176.425 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 8' ' ' VAL . 32.0 mt -96.99 177.33 5.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.691 1.234 . . . . 0.0 114.224 -171.134 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.68 ' ND2' ' HB3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -143.04 169.54 17.39 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 112.042 -2.344 . . . . 0.0 107.333 173.755 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -64.34 -16.02 61.45 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.013 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.68 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . 5.7 tp10 -48.64 -55.67 10.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.7 0.762 . . . . 0.0 110.345 175.135 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -81.91 -36.92 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.694 -178.064 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.482 ' HB ' ' HA ' ' A' ' 38' ' ' GLU . 65.3 mt -60.42 -54.44 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.243 0.545 . . . . 0.0 111.299 -175.91 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -74.1 -41.92 60.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.464 -174.529 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.15 -40.42 93.79 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.877 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 5.0 t80 -64.59 -33.15 75.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.517 -173.338 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 7.4 m-85 -92.19 -51.17 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -177.349 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' HA ' ' NH1' ' A' ' 51' ' ' ARG . 45.1 mt-10 -82.71 -30.9 28.81 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -173.489 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -116.34 39.4 3.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 110.498 -175.263 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -74.02 159.74 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.662 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -76.17 -24.69 54.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.491 -173.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -82.99 -19.53 36.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.455 179.156 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' NH1' ' HA ' ' A' ' 46' ' ' GLU . 70.2 ttt180 -101.91 107.36 18.5 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.349 -172.637 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.248 0.995 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.648 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ttt . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 56.7 pttt -70.25 124.66 24.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.235 0.54 . . . . 0.0 109.631 175.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.772 ' HA ' HE21 ' A' ' 3' ' ' GLN . 0.0 OUTLIER -123.77 -52.55 1.79 Allowed 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.166 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.431 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -87.33 -177.9 6.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.92 165.861 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.703 ' HB3' HG23 ' A' ' 8' ' ' VAL . 47.9 t -83.23 132.2 35.06 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.473 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -55.2 -32.31 62.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.358 -174.62 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -75.1 -29.67 60.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.218 0.533 . . . . 0.0 111.037 -179.655 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG23 ' HB3' ' A' ' 5' ' ' SER . 58.8 t -76.66 -37.77 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.573 -172.827 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' HG2' ' HE1' ' A' ' 44' ' ' PHE . 0.6 OUTLIER -54.93 -39.47 68.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.369 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG2' ' HD2' ' A' ' 11' ' ' LYS . 4.3 tt0 -61.12 -53.9 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.577 174.087 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' HG2' ' A' ' 10' ' ' GLU . 3.9 mptp? -72.73 -33.19 66.25 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.238 -172.507 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.5 tp -70.15 -35.26 73.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.676 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 35.5 tttp -56.19 -49.33 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.84 171.857 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 50.8 mt-10 -67.52 -11.39 57.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.422 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.887 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 1.9 m-85 -93.51 -59.7 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.667 0.27 . . . . 0.0 111.176 177.06 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 12' ' ' LEU . 18.4 t -65.58 -35.84 76.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.405 -174.618 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -98.94 -18.19 17.97 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -174.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.601 ' HB2' ' O ' ' A' ' 14' ' ' GLU . 71.6 mtp180 -124.67 -47.79 1.82 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.068 -174.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.887 ' HB2' ' HA ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -81.41 61.35 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -170.45 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 61.83 29.5 17.95 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.353 173.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.649 ' O ' HG22 ' A' ' 22' ' ' ILE . 4.3 tmt_? 75.29 -44.95 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.419 0.688 . . . . 0.0 111.798 173.559 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.649 HG22 ' O ' ' A' ' 21' ' ' ARG . 8.1 tt 62.4 136.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 125.249 1.42 . . . . 0.0 112.653 -178.334 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.28 155.67 25.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.67 -39.79 81.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.5 -173.46 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.07 -55.84 29.92 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.899 0.381 . . . . 0.0 110.764 -177.36 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.3 177.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' HZ ' ' A' ' 45' ' ' PHE . 8.0 tt -59.63 -47.81 84.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.607 -178.828 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -66.68 -41.14 88.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.66 -177.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.33 -44.02 97.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 177.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 32.9 t80 -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.739 179.399 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -69.89 -43.81 71.03 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.42 0.629 . . . . 0.0 109.812 178.625 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.803 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -76.63 -20.42 56.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.237 179.047 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -70.83 -29.0 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.421 175.776 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 8' ' ' VAL . 85.0 mt -100.68 -28.52 12.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.081 -177.814 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.18 40.41 0.55 Allowed Glycine 0 CA--C 1.517 0.172 0 C-N-CA 119.834 -1.174 . . . . 0.0 113.819 177.537 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 38.5 mt -104.18 137.85 41.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.369 0.585 . . . . 0.0 111.66 179.753 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.6 154.77 19.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.333 169.355 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 41' ' ' ILE . 39.7 mt-10 -58.95 -25.88 63.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -171.738 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG2' ' OE1' ' A' ' 3' ' ' GLN . 9.0 tp10 -55.05 -53.34 57.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.436 0.636 . . . . 0.0 110.593 174.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.1 -24.24 65.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.037 -176.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 38' ' ' GLU . 45.6 mt -70.92 -45.28 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.266 179.817 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.2 ttm-85 -65.53 -36.65 84.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.919 0.39 . . . . 0.0 110.348 177.283 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.41 -37.65 73.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.987 177.407 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' HE1' ' HG2' ' A' ' 9' ' ' GLU . 2.2 t80 -71.28 -25.81 62.61 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.167 -174.595 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HZ ' HD13 ' A' ' 27' ' ' LEU . 82.2 m-85 -93.4 -68.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 0.0 111.625 177.127 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 45.4 mt-10 -74.68 -52.18 12.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.867 -171.218 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -81.64 18.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.499 -175.768 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -89.14 -65.23 1.04 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.113 178.597 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -150.22 -27.06 0.24 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.862 177.616 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -80.5 37.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.497 0.665 . . . . 0.0 110.345 179.588 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 34.5 mtt180 -79.93 94.23 5.84 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.738 -174.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttp . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.037 -179.298 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.772 0.32 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -137.2 165.49 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.027 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -124.18 -57.47 1.59 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -175.5 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.671 ' HH2' ' HB2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -106.53 176.36 5.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.456 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.642 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 37.2 t -72.21 126.06 28.85 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 159.838 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -33.5 -53.28 0.41 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -74.92 -16.96 60.63 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -175.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 HD21 ' A' ' 36' ' ' LEU . 76.7 t -75.37 -36.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.386 -176.861 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.18 -43.17 64.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.351 0.596 . . . . 0.0 109.586 178.388 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 22.6 tt0 -59.25 -61.67 2.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.347 176.538 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -67.57 -38.91 84.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.756 -171.057 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' CD2' ' HZ3' ' A' ' 4' ' ' TRP . 13.9 tp -65.16 -45.01 86.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.106 -175.025 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 17' ' ' LYS . 17.0 pttm -60.52 -30.86 70.0 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.538 0.685 . . . . 0.0 109.274 178.375 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 18' ' ' ARG . 47.7 mt-10 -81.09 -14.95 57.27 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.623 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' HIS . 2.2 t80 -94.92 -31.5 13.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.821 0.343 . . . . 0.0 110.625 177.593 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 40.1 t -89.73 -35.14 7.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.287 -179.368 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 13' ' ' LYS . 23.8 tttm -108.8 -45.12 3.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.938 -175.633 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 14' ' ' GLU . 34.2 ttt180 -83.95 -20.76 32.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.057 0.456 . . . . 0.0 110.917 -173.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 11.2 m80 -97.54 29.34 3.33 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 173.532 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 44.2 mt-30 74.19 -59.78 0.54 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.051 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 177.28 172.51 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.379 0.424 . . . . 0.0 110.378 -173.413 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG21 HD23 ' A' ' 27' ' ' LEU . 11.8 tt -156.21 147.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.4 p -63.34 145.03 56.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.85 175.127 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.89 -36.85 84.55 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -172.396 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.47 -46.12 70.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.954 0.407 . . . . 0.0 110.086 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' HD11 ' A' ' 22' ' ' ILE . 38.9 tt0 -65.51 -28.42 69.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.099 178.222 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 22' ' ' ILE . 3.1 tm? -64.92 -45.13 87.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.19 176.775 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -66.38 -37.03 84.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.39 -177.747 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.697 HE21 ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -63.46 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.362 0.601 . . . . 0.0 109.681 175.64 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -67.91 -31.16 70.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.294 179.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 36' ' ' LEU . . . -67.25 -41.45 85.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.88 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -75.38 -22.99 57.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.349 0.595 . . . . 0.0 109.945 -178.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -73.32 -35.81 66.13 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.747 176.168 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 8' ' ' VAL . 78.1 mt -89.32 -27.9 20.21 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.771 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.45 41.2 1.06 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.096 -1.049 . . . . 0.0 112.728 178.81 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.809 HD21 HG11 ' A' ' 8' ' ' VAL . 76.1 mt -101.84 136.81 41.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.747 0.785 . . . . 0.0 112.86 -175.261 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' O ' HG13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -86.4 162.56 18.09 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.11 167.478 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.09 -24.69 66.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.664 0.269 . . . . 0.0 111.551 -175.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' GLN . 15.8 tp10 -48.54 -51.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.777 175.389 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.619 ' HB1' ' CE3' ' A' ' 4' ' ' TRP . . . -79.76 -33.98 40.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.267 -175.507 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 37' ' ' ASN . 48.9 mt -63.98 -51.25 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.442 -177.392 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -68.32 -30.29 69.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.651 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' GLU . 7.0 tp-100 -58.71 -50.25 74.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.326 -176.158 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.671 ' HB2' ' HH2' ' A' ' 4' ' ' TRP . 5.0 t80 -66.64 -26.35 67.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.432 -174.863 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.96 -55.52 5.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.328 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -83.17 -31.04 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -173.13 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -104.4 37.48 2.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.879 0.847 . . . . 0.0 110.059 179.26 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 8.2 t80 -62.26 172.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.06 171.819 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -61.04 -27.23 68.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 121.86 -0.525 . . . . 0.0 110.967 -179.673 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -70.32 -45.94 65.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 48' ' ' PHE . 15.5 mtt180 60.24 -163.59 0.24 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 170.356 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.706 -179.371 . . . . . . . . 1 1 . 1 stop_ save_