data_2nc9_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 2nc9 _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 9' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.8 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.906 0.384 . . . . 3.26 110.746 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.76 -27.7 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.937 -0.574 . . . . 1.94 111.297 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 66.3 mttm -57.67 -47.75 81.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 2.71 110.696 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -63.88 -51.06 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.603 . . . . 3.21 110.889 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 2.85 110.761 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 1.14 110.205 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -35.68 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.7 . . . . 2.57 109.216 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HZ3' HD21 ' A' ' 20' ' ' LEU . 61.9 tttm -72.73 -35.86 67.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.508 -0.769 . . . . 3.36 110.526 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 50.6 mm-40 -67.46 -32.98 74.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.318 -0.401 . . . . 0.54 110.233 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.78 -35.34 78.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 1.39 109.667 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.8 -31.88 52.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.715 -0.675 . . . . 2.32 110.206 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD21 ' HZ3' ' A' ' 16' ' ' LYS . 2.1 mm? -68.36 -38.28 81.28 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.299 -0.63 . . . . 1.24 109.299 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -75.86 -38.04 37.31 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.862 -0.895 . . . . 0.41 110.862 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 34.6 t-20 -64.84 -35.63 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.649 -0.5 . . . . 1.94 109.649 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.61 -44.94 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.687 -0.688 . . . . 0.93 109.74 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -74.69 -18.83 60.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.771 -0.65 . . . . 1.19 109.853 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -74.11 -31.13 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.53 -0.759 . . . . 1.11 110.338 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 59.3 mttm -82.99 -14.09 54.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 2.27 110.627 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -104.72 26.75 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 2.78 111.694 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.72 -2.27 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.172 -0.467 . . . . 2.84 112.239 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -81.46 68.42 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 1.62 109.97 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.34 -31.7 72.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.86 111.844 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.82 -53.46 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.415 . . . . 1.93 110.145 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 m -65.43 -34.28 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 1.15 110.223 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -62.91 -48.48 78.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 1.1 110.872 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' HB2' HG13 ' A' ' 57' ' ' VAL . 2.1 tm? -66.46 -27.01 67.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.855 -0.611 . . . . 1.44 110.07 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.83 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 2.0 110.477 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -69.21 -39.23 78.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.427 . . . . 0.57 110.486 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 4.8 m-85 -60.7 -45.99 92.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.998 0.428 . . . . 1.07 109.952 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.06 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.003 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.47 -42.82 82.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.763 -0.653 . . . . 1.87 110.015 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 17' ' ' GLU . . . -61.03 -31.58 71.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 1.05 110.222 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.72 -38.13 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.68 -0.691 . . . . 2.0 110.308 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.15 -28.57 62.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 2.78 110.13 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 7.6 mp -79.88 -24.0 41.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 1.11 110.502 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -162.22 83.62 1.65 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.11 110.405 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.31 -21.9 40.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.7 2.267 . . . . 0.74 112.545 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -71.69 -18.88 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 1.15 111.464 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.728 HD22 ' HB ' ' A' ' 49' ' ' THR . 6.2 t30 -85.24 102.53 13.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 2.13 110.282 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.519 ' HG3' ' HG2' ' A' ' 83' ' ' GLU . 4.9 ppp? -68.56 -20.42 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 1.05 112.296 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.728 ' HB ' HD22 ' A' ' 47' ' ' ASN . 16.1 m -61.81 -35.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.608 0.242 . . . . 1.3 111.247 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' H ' HD21 ' A' ' 47' ' ' ASN . 20.1 m-85 -69.87 -43.03 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.99 110.328 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 49.0 mt -63.01 -43.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.908 -0.587 . . . . 1.13 111.093 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.6 p -61.47 -38.22 86.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 1.04 110.451 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -65.77 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 2.0 110.144 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 37' ' ' TYR . 29.2 mt-30 -59.84 -49.16 78.81 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.478 -0.564 . . . . 2.0 109.478 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -57.46 -36.44 71.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.17 -0.923 . . . . 1.09 110.677 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.22 71.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.53 . . . . 1.07 110.215 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' A' ' 34' ' ' LEU . 44.7 t -69.93 -47.33 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 1.11 110.31 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -58.59 -31.87 68.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 0.91 109.882 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.33 -29.44 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.7 109.729 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -87.69 -26.7 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.735 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -80.38 -16.38 54.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 1.7 110.936 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.39 -11.39 36.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.41 112.29 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 7.6 m-20 -82.24 73.55 9.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 1.26 110.885 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -66.09 -25.75 67.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.9 110.565 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.43 -43.88 76.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 2.75 110.092 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HZ3' HD22 ' A' ' 70' ' ' LEU . 6.0 tmtt? -69.55 -31.02 68.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.841 -0.618 . . . . 1.33 110.39 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.61 -50.05 70.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 1.93 109.866 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.44 -22.8 62.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.561 -0.745 . . . . 3.88 110.037 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.37 -55.12 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 2.08 111.171 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 HD22 ' HZ3' ' A' ' 66' ' ' LYS . 91.9 mt -71.47 -37.52 71.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 1.05 111.528 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.464 ' O ' HG12 ' A' ' 75' ' ' ILE . 12.9 m -54.8 -59.06 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.27 . . . . 1.1 110.645 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.35 -36.29 73.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 2.09 110.225 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -62.3 -34.84 77.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.265 -0.642 . . . . 1.82 109.265 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 48' ' ' MET . . . -71.31 -32.38 68.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.417 -0.811 . . . . 1.05 109.78 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.641 HD13 HG23 ' A' ' 88' ' ' ILE . 28.0 mm -64.18 -38.11 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.258 -0.645 . . . . 1.08 109.258 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.55 -52.16 62.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 2.35 110.776 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.12 -51.79 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.847 -0.615 . . . . 1.04 111.55 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.66 -54.71 35.15 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.137 -0.554 . . . . 0.27 112.966 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -60.69 -12.4 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 3.02 110.843 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.81 -31.77 12.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 1.96 111.239 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -99.05 19.04 15.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.444 -0.344 . . . . 1.86 111.465 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mmt-85 57.95 27.61 14.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.405 -0.361 . . . . 5.39 111.517 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.519 ' HG2' ' HG3' ' A' ' 48' ' ' MET . 9.9 tp10 -67.37 161.51 25.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 1.6 110.927 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.37 117.14 2.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.907 -0.588 . . . . 0.82 111.272 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HA ' HD13 ' A' ' 88' ' ' ILE . 55.1 p90 -69.25 -25.39 64.25 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.149 -0.478 . . . . 0.95 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -59.89 -37.67 80.05 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.5 -0.556 . . . . 3.57 109.5 178.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -71.14 -34.1 70.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 2.13 109.297 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.641 HG23 HD13 ' A' ' 75' ' ' ILE . 22.8 mt -61.32 -38.33 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.341 -0.845 . . . . 1.04 110.015 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -69.42 -42.11 75.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 1.07 110.124 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 32.6 mmmt -60.34 -33.48 72.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.153 -0.684 . . . . 1.87 109.153 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HB1' HD11 ' A' ' 75' ' ' ILE . . . -70.53 -43.22 70.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.528 -0.76 . . . . 1.05 109.221 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -58.28 -35.35 71.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.173 -0.677 . . . . 0.93 109.173 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.71 -40.61 95.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.304 -0.862 . . . . 1.06 109.993 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -68.08 -34.99 77.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 2.02 110.416 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 91' ' ' ALA . 74.1 mt -63.67 -50.11 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.777 -0.823 . . . . 1.05 108.777 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -67.35 -25.71 73.62 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.327 -0.851 . . . . 0.23 111.292 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 6.2 t-20 -74.25 -35.58 63.82 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.314 -0.624 . . . . 2.18 109.314 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -42.62 99.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.834 -0.802 . . . . 1.07 108.834 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.644 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.8 m-85 -71.12 -37.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.267 -0.879 . . . . 1.06 109.304 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.0 -18.49 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.169 -0.923 . . . . 0.54 110.647 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 1.31 111.824 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.644 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 14.6 pt-20 -90.18 17.02 7.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.718 0.294 . . . . 0.57 111.408 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 66.97 24.75 9.51 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.541 0.571 . . . . 1.59 112.541 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 52.6 mttm -105.49 52.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 2.37 110.259 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.528 ' HB2' HD11 ' A' ' 135' ' ' LEU . 73.4 m-85 -54.38 -26.6 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 1.01 111.959 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -62.55 -45.36 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 2.14 110.493 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.95 -25.08 40.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.67 110.013 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.516 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -63.19 -57.66 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.642 . . . . 1.06 110.652 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.519 HG21 ' HG ' ' A' ' 128' ' ' CYS . 43.6 mt -56.67 -32.11 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.012 -0.54 . . . . 1.23 111.055 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.45 ' NE2' ' HE3' ' A' ' 114' ' ' LYS . 71.8 t60 -60.2 -59.1 5.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.51 110.753 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -71.12 -23.72 62.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.36 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.87 -51.01 66.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.167 -0.679 . . . . 0.89 109.167 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -60.96 -30.32 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 1.78 110.212 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.45 ' HE3' ' NE2' ' A' ' 110' ' ' HIS . 57.3 mttt -67.43 -29.55 69.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.167 -0.469 . . . . 1.85 109.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.652 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.5 t -70.87 -32.0 68.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.402 -0.592 . . . . 1.41 109.402 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.55 HD11 ' HG3' ' A' ' 120' ' ' ARG . 4.2 mm? -73.17 -25.17 60.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.657 -0.701 . . . . 1.09 109.687 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.42 65.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 1.07 111.012 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -86.9 -60.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.53 110.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 12.0 t-160 -138.38 100.38 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.55 110.698 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.55 ' HG3' HD11 ' A' ' 116' ' ' LEU . 35.8 ttm180 -59.58 124.45 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 3.5 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.402 ' HG1' HG22 ' A' ' 124' ' ' VAL . 25.0 p -139.82 144.06 37.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 1.27 111.062 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.97 -29.18 81.58 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.698 2.265 . . . . 1.08 112.553 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.97 -58.4 7.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.458 -0.337 . . . . 2.2 111.05 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.652 HG11 ' HB3' ' A' ' 115' ' ' SER . 12.4 t -64.11 -37.09 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 1.09 110.988 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.29 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.503 -0.554 . . . . 1.29 109.503 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -77.09 -39.32 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.346 -0.843 . . . . 2.55 110.101 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.08 -21.55 56.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 2.06 110.554 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.519 ' HG ' HG21 ' A' ' 109' ' ' ILE . 43.0 t -72.14 -45.89 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.74 109.884 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -75.22 -27.01 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.73 -0.668 . . . . 1.8 109.751 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.22 -40.52 64.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.524 -0.762 . . . . 2.14 110.849 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.15 81.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 1.02 111.864 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 133' ' ' LYS . 8.3 pt-20 -76.24 -40.11 52.82 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.056 -0.258 . . . . 2.04 111.459 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 132' ' ' GLU . 13.9 ptmm? -68.29 -27.35 66.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 2.42 110.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.98 -39.57 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 1.1 109.818 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 105' ' ' TYR . 38.3 tp -59.52 -35.76 74.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 1.96 110.091 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -63.83 -41.85 97.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.195 -0.457 . . . . 3.76 110.129 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.45 -12.35 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 2.28 109.812 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -84.98 -34.51 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.9 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.118 -0.944 . . . . 2.99 111.066 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.578 ' HG3' ' H ' ' A' ' 10' ' ' ASN . 4.4 tp10 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.831 -0.433 . . . . 3.26 109.831 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.578 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 13.8 m120 -65.92 -30.09 70.61 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.084 0.401 . . . . 1.94 112.084 -171.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -56.32 -44.58 80.08 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.823 0.305 . . . . 2.71 111.823 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' HZ2' ' HB3' ' A' ' 12' ' ' LYS . 8.7 mtpm? -67.46 -44.07 79.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.051 0.453 . . . . 3.21 110.391 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.553 ' HB3' HD22 ' A' ' 43' ' ' LEU . 22.8 tt0 -62.53 -33.26 74.56 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 2.85 110.311 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 43' ' ' LEU . . . -62.53 -36.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.659 -0.701 . . . . 1.14 110.747 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.656 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 2.8 tm? -63.01 -39.67 95.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.731 -0.84 . . . . 2.57 108.731 177.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -37.51 82.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 3.36 109.966 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -35.17 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.54 110.829 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 24.5 ttpp -65.42 -38.85 91.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.578 -0.527 . . . . 1.39 109.578 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 6.0 mm-40 -66.08 -44.81 83.37 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.181 -0.463 . . . . 2.32 110.751 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.74 -42.03 99.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.428 -0.351 . . . . 1.24 110.725 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -61.2 -58.17 14.85 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.395 -0.682 . . . . 0.41 111.395 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.558 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 66.7 t30 -56.43 -37.34 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.076 0.465 . . . . 1.94 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -59.12 -48.51 81.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.215 -0.448 . . . . 0.93 110.734 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -67.77 -30.72 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 1.19 110.068 176.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 56.2 t80 -62.06 -38.58 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.092 -0.958 . . . . 1.11 110.38 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 5.8 mptp? -66.72 -27.44 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 2.27 110.845 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -87.06 1.42 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 2.78 110.226 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.51 25.11 13.87 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.479 -0.782 . . . . 2.84 111.127 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 16.2 t0 -86.09 66.02 9.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.914 -1.513 . . . . 1.62 106.914 171.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' O ' HG12 ' A' ' 57' ' ' VAL . 26.5 m-85 -57.77 -48.05 80.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.775 -1.102 . . . . 0.86 113.594 -161.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.525 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -69.1 -30.48 68.79 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.581 -0.848 . . . . 1.93 110.851 -177.257 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 m -68.27 -39.89 82.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 1.15 110.049 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.24 -56.88 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 1.1 109.441 172.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -51.7 -31.92 28.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.207 -1.361 . . . . 1.44 110.26 176.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.6 tppt? -70.49 -50.45 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.585 -0.734 . . . . 2.0 111.27 -176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.421 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.8 m-70 -71.23 -33.34 69.77 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.523 -0.471 . . . . 0.57 109.841 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.575 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 11.6 m-85 -60.16 -41.55 93.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.975 -0.557 . . . . 1.07 109.622 173.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.698 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 22.4 t70 -61.76 -45.9 91.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.51 109.987 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' HD11 ' A' ' 43' ' ' LEU . 47.6 tptt -56.25 -45.71 79.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.356 -0.838 . . . . 1.87 109.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.88 72.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.193 -0.458 . . . . 1.05 111.43 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HE3' HE22 ' A' ' 54' ' ' GLN . 11.0 ttmt -76.85 -24.94 52.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.144 0.497 . . . . 2.0 110.415 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -75.46 -33.5 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.408 0.623 . . . . 2.78 109.591 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -76.11 -46.87 26.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.179 -0.919 . . . . 1.11 110.392 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -129.12 94.57 33.4 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.955 0.407 . . . . 1.11 110.829 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.04 -7.27 19.69 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.079 2.52 . . . . 0.74 112.809 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 p -106.37 -3.22 21.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.037 0.446 . . . . 1.15 111.314 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.0 t30 -92.05 92.51 8.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.151 0.501 . . . . 2.13 109.702 177.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE1' HG12 ' A' ' 88' ' ' ILE . 22.7 ptm -57.19 -27.68 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.287 -0.869 . . . . 1.05 112.219 -174.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.441 ' HB ' HD22 ' A' ' 47' ' ' ASN . 19.6 m -61.56 -26.41 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 1.3 111.633 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.707 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 m-30 -74.45 -32.42 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.99 109.808 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 HG12 ' HG3' ' A' ' 41' ' ' LYS . 60.8 mt -80.03 -41.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 1.13 111.214 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 p -63.89 -31.49 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.22 0.533 . . . . 1.04 110.263 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.514 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.7 m-20 -75.44 -28.18 59.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 2.0 110.888 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.707 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 92.3 mt-30 -65.45 -47.2 76.96 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.829 0.823 . . . . 2.0 109.213 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -58.99 -38.82 80.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.132 -1.395 . . . . 1.09 110.785 179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.42 70.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 1.07 110.866 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' A' ' 34' ' ' LEU . 90.7 t -63.48 -50.64 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.092 -0.504 . . . . 1.11 110.32 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.523 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 61.4 m-85 -57.16 -37.6 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.455 -0.339 . . . . 0.91 110.768 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -57.82 -41.4 82.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.965 -0.561 . . . . 0.7 110.001 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -73.93 -33.82 64.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 1.42 110.577 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.4 mtmt -68.94 -15.17 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.353 -0.839 . . . . 1.7 111.493 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.9 1.86 61.37 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.553 -0.619 . . . . 0.41 111.553 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -97.29 76.89 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 1.26 110.357 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -71.78 -29.91 64.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.682 -0.69 . . . . 0.9 110.754 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.95 -39.81 90.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.519 . . . . 2.75 110.474 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 53.1 tptt -74.43 -31.07 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 1.33 110.771 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 t -61.86 -51.24 69.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 1.93 110.376 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HD3' ' OH ' ' A' ' 99' ' ' TYR . 7.5 ppt_? -68.25 -26.38 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.749 0.309 . . . . 3.88 110.4 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.571 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 8.4 tp10 -57.68 -58.9 6.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.602 -0.726 . . . . 2.08 110.583 174.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 80.6 mt -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.274 -0.875 . . . . 1.05 112.098 -173.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 75' ' ' ILE . 84.1 m -65.66 -47.44 75.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.554 -0.458 . . . . 1.1 111.406 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.36 -30.14 70.94 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.175 -0.305 . . . . 2.09 110.175 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -66.0 -49.08 69.05 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.816 -0.438 . . . . 1.82 109.816 175.173 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.88 -45.68 91.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.715 -0.675 . . . . 1.05 110.429 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 71' ' ' CYS . 53.5 mt -61.95 -43.26 97.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.275 -0.42 . . . . 1.08 110.439 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.85 -47.85 76.55 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.584 -0.524 . . . . 2.35 109.584 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 36.2 t -59.88 -47.43 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.169 -0.923 . . . . 1.04 111.525 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.52 -53.47 24.51 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 115.871 -0.604 . . . . 0.27 112.474 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HD3' HG22 ' A' ' 75' ' ' ILE . 15.2 ptt180 -65.25 -20.18 66.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.314 0.578 . . . . 3.02 110.236 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -72.86 -47.74 43.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 1.96 110.511 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.13 5.88 44.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.539 -0.755 . . . . 1.86 110.873 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 62.93 38.04 11.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.593 -0.73 . . . . 5.39 110.803 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -75.86 168.42 20.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.058 -0.974 . . . . 1.6 110.246 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.16 117.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.113 0.783 . . . . 0.82 113.113 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 49.3 p90 -75.73 -23.61 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.332 -0.849 . . . . 0.95 110.838 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -68.04 -37.92 81.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.93 -0.767 . . . . 3.57 108.93 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.07 -45.56 84.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.439 -1.255 . . . . 2.13 109.859 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.532 HG12 ' HE1' ' A' ' 48' ' ' MET . 15.1 mt -53.67 -43.25 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.604 -0.726 . . . . 1.04 111.566 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.643 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.76 -35.85 79.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.381 -0.372 . . . . 1.07 110.968 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -74.11 -30.78 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 1.87 109.806 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.23 -40.05 93.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 1.05 109.766 172.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 16.0 m-85 -63.52 -43.61 96.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.115 -0.493 . . . . 0.93 111.285 175.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.38 -31.04 72.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.996 -0.547 . . . . 1.06 110.326 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -75.55 -38.71 59.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.914 -0.585 . . . . 2.02 109.942 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -59.73 -55.49 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.138 0.494 . . . . 1.05 110.086 173.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.63 -37.66 93.79 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.284 -0.871 . . . . 0.23 111.951 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 2.2 t-20 -67.48 -31.53 71.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.651 0.262 . . . . 2.18 110.346 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.5 m -61.72 -48.75 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.156 0.503 . . . . 1.07 109.96 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.538 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 67.7 m-85 -64.15 -36.41 83.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.472 -0.785 . . . . 1.06 110.396 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.2 -31.03 68.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.838 -1.074 . . . . 0.54 110.816 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 28.0 mmmt -83.37 -39.29 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 1.31 110.395 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -84.51 1.09 47.31 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.57 111.281 -171.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 26.2 mt-10 76.17 24.85 1.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.359 -0.837 . . . . 1.59 111.477 176.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 36.6 mtpt -102.01 59.89 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.593 . . . . 2.37 109.471 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.484 ' HB2' HD11 ' A' ' 135' ' ' LEU . 81.6 m-85 -64.55 -26.18 68.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.497 -0.774 . . . . 1.01 112.452 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.8 -46.62 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 2.14 109.748 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -74.09 -32.04 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.33 -0.85 . . . . 0.67 110.271 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.44 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.95 -56.92 15.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.888 -0.597 . . . . 1.06 110.374 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.571 HG23 ' SG ' ' A' ' 128' ' ' CYS . 16.0 mt -61.99 -34.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.423 -0.808 . . . . 1.23 111.338 -178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -56.14 -57.67 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 0.51 110.28 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.517 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.6 m-85 -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.755 -0.657 . . . . 0.36 111.079 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 5.8 m-30 -61.44 -54.74 39.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.385 -0.598 . . . . 0.89 109.385 169.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.4 ' HA ' HD22 ' A' ' 116' ' ' LEU . 20.2 t-20 -58.93 -29.95 67.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.78 110.587 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.517 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 25.0 mmtt -65.15 -34.25 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 1.85 110.668 174.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.5 t -68.39 -42.94 78.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.009 -0.737 . . . . 1.41 109.009 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -61.48 -23.04 65.62 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.234 0.54 . . . . 1.09 110.178 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -77.13 -36.86 55.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.778 . . . . 1.07 111.374 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -94.4 -50.56 5.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.53 111.424 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.643 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 11.4 t-160 -146.12 97.67 2.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.55 109.886 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.45 ' HG3' HD12 ' A' ' 116' ' ' LEU . 51.7 ttp180 -61.8 110.68 1.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 3.5 111.143 -177.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 13.0 p -129.44 134.24 26.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 121.687 0.756 . . . . 1.27 111.173 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 8.0 Cg_endo -47.31 -40.08 27.95 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 125.268 3.979 . . . . 1.08 114.781 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.89 -40.89 75.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 111.561 0.208 . . . . 2.2 111.561 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 115' ' ' SER . 6.0 t -72.05 -33.47 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.013 -0.675 . . . . 1.09 109.602 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.3 -48.01 83.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.892 -0.781 . . . . 1.29 108.892 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -55.94 -51.06 69.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.065 -0.97 . . . . 2.55 110.586 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.41 -37.67 88.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.25 -0.886 . . . . 2.06 112.029 -178.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.571 ' SG ' HG23 ' A' ' 109' ' ' ILE . 38.7 t -66.55 -45.08 80.57 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.94 -0.573 . . . . 1.74 109.939 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -68.62 -31.56 70.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.843 -0.617 . . . . 1.8 110.361 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 38.3 tt0 -69.06 -45.79 69.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.604 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.23 86.77 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 1.02 112.072 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.5 pt-20 -72.78 -36.39 67.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.487 -0.485 . . . . 2.04 111.39 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 14.6 ptmm? -71.38 -35.33 71.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.494 -0.483 . . . . 2.42 109.718 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.8 mt -65.26 -46.95 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.717 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 105' ' ' TYR . 41.9 tp -61.52 -30.29 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 1.96 110.363 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.45 ' HB3' ' HZ3' ' A' ' 136' ' ' LYS . 5.5 ttpm? -65.39 -32.28 73.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 3.76 110.244 175.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 19.2 mt-10 -77.26 -25.91 51.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 2.28 110.02 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -77.8 -43.92 29.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.685 -0.689 . . . . 2.0 111.487 -176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 7.9 pt-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.491 -0.29 . . . . 2.99 110.854 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.543 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 30.3 tt0 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.819 -0.437 . . . . 3.26 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.543 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 85.0 m-20 -55.49 -37.1 67.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.953 0.353 . . . . 1.94 111.953 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -53.98 -39.42 66.01 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 2.71 111.482 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -66.81 -47.86 70.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.094 0.473 . . . . 3.21 110.288 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.515 ' HB3' HD21 ' A' ' 43' ' ' LEU . 24.6 tt0 -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.13 -0.487 . . . . 2.85 110.65 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 43' ' ' LEU . . . -60.83 -37.97 83.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.076 0.465 . . . . 1.14 110.679 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.95 -39.66 93.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.047 -0.723 . . . . 2.57 109.047 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 55.4 tttp -61.38 -48.22 82.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 3.36 110.352 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 32.9 mm-40 -59.97 -34.44 73.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.54 111.397 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -63.4 -43.44 97.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 1.39 110.315 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.34 -37.85 65.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 2.32 111.009 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.88 -40.45 95.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 1.24 110.306 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.8 -50.24 43.3 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 111.552 -0.619 . . . . 0.41 111.552 174.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.94 ' HB2' ' HH ' ' A' ' 37' ' ' TYR . 58.6 t30 -54.69 -37.82 66.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.216 0.532 . . . . 1.94 111.493 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.25 -51.88 64.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.754 -0.657 . . . . 0.93 110.457 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . . . -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.61 . . . . 1.19 110.307 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 59.6 t80 -57.71 -32.21 67.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.893 -1.048 . . . . 1.11 110.327 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.27 -9.21 57.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 2.27 111.529 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -106.92 16.84 23.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 2.78 110.606 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 29.1 mtpp 58.04 20.63 7.04 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.07 -0.513 . . . . 2.84 111.24 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 8.3 t0 -95.3 67.99 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.144 -1.058 . . . . 1.62 108.144 176.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.6 m-85 -71.75 -17.91 62.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.86 111.918 -169.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 20.0 m-20 -72.83 -47.56 45.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.612 -0.514 . . . . 1.93 109.612 173.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -69.8 -35.69 75.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 1.15 110.624 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.63 -56.15 24.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.502 . . . . 1.1 110.461 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -61.49 -31.33 71.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.218 -0.901 . . . . 1.44 109.849 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.37 -50.23 72.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.699 -0.682 . . . . 2.0 111.095 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.7 m-70 -74.06 -35.09 64.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.57 110.568 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.94 ' HH ' ' HB2' ' A' ' 22' ' ' ASN . 2.1 m-85 -61.75 -44.77 96.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 1.07 110.67 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.805 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 32.3 t70 -68.16 -36.89 80.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.119 -0.491 . . . . 1.51 110.072 175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HG3' ' HG3' ' A' ' 17' ' ' GLU . 23.4 tptm -57.18 -45.68 83.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.334 -0.848 . . . . 1.87 110.273 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.64 -27.7 66.58 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.326 -0.397 . . . . 1.05 110.912 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 58.7 tttm -79.26 -31.98 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.339 -0.392 . . . . 2.0 110.745 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.42 -29.63 66.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 2.78 109.159 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 13' ' ' GLN . 10.3 mp -79.83 -43.63 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.223 -0.899 . . . . 1.11 110.526 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 37.9 t0 -140.58 97.16 7.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.023 0.44 . . . . 1.11 111.143 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.15 -12.64 15.84 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.847 2.365 . . . . 0.74 113.015 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.9 p -90.84 -14.81 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.135 0.493 . . . . 1.15 110.987 -177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.508 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 7.8 t30 -83.83 92.24 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.438 -0.578 . . . . 2.13 109.438 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 2.9 ppp? -52.68 -31.7 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.893 -1.049 . . . . 1.05 111.531 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.2 m -62.89 -34.01 76.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.855 -0.611 . . . . 1.3 111.536 -174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.638 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.4 m-30 -62.33 -46.09 90.27 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.377 -0.601 . . . . 0.99 109.377 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.1 mt -63.55 -44.62 98.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.729 -1.123 . . . . 1.13 111.359 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.445 HG21 ' CB ' ' A' ' 74' ' ' ALA . 68.7 p -65.66 -25.0 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.028 0.442 . . . . 1.04 111.246 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.527 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 2.0 m120 -79.41 -34.61 41.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 2.0 110.859 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.805 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 28.4 mt-30 -61.17 -44.65 96.98 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.899 0.857 . . . . 2.0 108.817 173.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 67' ' ' CYS . . . -58.27 -37.58 75.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.906 -1.497 . . . . 1.09 111.042 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.41 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.976 -0.556 . . . . 1.07 110.696 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG11 ' HD3' ' A' ' 61' ' ' LYS . 61.7 t -66.5 -46.06 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 116.084 -0.507 . . . . 1.11 110.319 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 61.1 m-85 -59.78 -37.67 79.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 0.91 110.357 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.7 t80 -58.65 -43.38 89.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.605 . . . . 0.7 110.355 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -70.38 -36.32 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.73 -0.668 . . . . 1.42 110.723 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HD3' HG11 ' A' ' 57' ' ' VAL . 6.3 mtpp -69.37 -15.35 63.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.889 -1.051 . . . . 1.7 112.008 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.72 1.47 60.15 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.783 -0.722 . . . . 0.41 112.007 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -96.85 78.03 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.601 -0.518 . . . . 1.26 109.601 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.629 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 83.4 m-85 -70.48 -27.67 64.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.9 110.484 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.94 -50.28 72.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.621 . . . . 2.75 109.811 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 49.9 tptt -67.88 -38.16 82.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.695 0.283 . . . . 1.33 110.928 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 59' ' ' PHE . 26.2 t -54.6 -50.75 67.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.93 110.559 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 64' ' ' TYR . 40.8 ptt85 -71.85 -32.23 67.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.752 -0.379 . . . . 3.88 110.757 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.53 -48.05 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.163 0.506 . . . . 2.08 111.195 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 67.9 mt -78.1 -32.86 50.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.625 . . . . 1.05 112.085 -176.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' O ' HG13 ' A' ' 75' ' ' ILE . 87.1 m -62.39 -46.96 86.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.83 -0.348 . . . . 1.1 111.555 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 3.3 pt-20 -66.76 -35.2 79.54 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.673 -0.411 . . . . 2.09 110.38 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -49.1 77.14 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.736 -0.468 . . . . 1.82 109.736 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.04 -40.34 89.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.665 -0.698 . . . . 1.05 110.46 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 71' ' ' CYS . 57.0 mt -64.63 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.445 -0.343 . . . . 1.08 110.86 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 12.2 mm-40 -61.78 -35.79 79.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.289 0.566 . . . . 2.35 109.862 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 54.7 t -71.78 -43.32 69.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.219 -0.901 . . . . 1.04 111.223 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.41 -35.33 68.77 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.694 . . . . 0.27 111.808 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.09 -40.62 94.85 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.787 -0.82 . . . . 3.02 108.787 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 11.0 tt0 -54.99 -53.88 50.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.376 -1.283 . . . . 1.96 111.781 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -100.65 5.74 43.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.72 -0.673 . . . . 1.86 111.679 -169.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 62.11 49.47 4.46 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.69 -0.687 . . . . 5.39 111.087 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.89 166.58 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.174 -0.921 . . . . 1.6 109.963 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -41.57 108.8 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.457 0.703 . . . . 0.82 111.927 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.471 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 21.9 p90 -72.87 -21.89 60.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.224 0.535 . . . . 0.95 110.427 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 71.7 mtm180 -64.17 -45.95 86.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.756 -0.831 . . . . 3.57 108.756 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -58.09 -41.5 83.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.324 -1.307 . . . . 2.13 110.315 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.9 mt -58.45 -41.5 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.617 -0.72 . . . . 1.04 111.354 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.679 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.56 -36.76 85.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 1.07 110.529 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 13.4 mmmm -67.37 -34.68 77.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 1.87 109.411 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.81 -46.23 88.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.551 -0.749 . . . . 1.05 110.128 172.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CE2' HD13 ' A' ' 75' ' ' ILE . 24.0 m-85 -58.1 -45.16 87.69 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.477 -0.329 . . . . 0.93 111.381 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.938 -0.574 . . . . 1.06 110.477 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -73.52 -38.27 65.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 2.02 110.386 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -58.53 -54.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.437 -0.579 . . . . 1.05 109.437 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.39 95.28 Favored Glycine 0 N--CA 1.44 -1.047 0 CA-C-N 114.998 -1.001 . . . . 0.23 112.225 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.675 ' HA ' ' HH ' ' A' ' 112' ' ' TYR . 7.4 t-20 -72.17 -27.37 62.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.81 0.305 . . . . 2.18 110.979 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 m -65.52 -45.7 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.457 -0.572 . . . . 1.07 109.457 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 56.2 m-85 -59.54 -44.26 93.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.413 -0.812 . . . . 1.06 109.672 171.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 61.7 t80 -53.11 -46.3 68.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.944 -1.025 . . . . 0.54 111.022 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -69.17 -33.49 73.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 1.31 110.937 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 3.8 pt-20 -89.72 6.16 42.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.4 -0.363 . . . . 0.57 111.121 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 76.5 11.9 2.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.691 0.797 . . . . 1.59 111.138 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.503 ' HB2' ' CG ' ' A' ' 102' ' ' GLU . 13.0 tttm -89.92 58.38 4.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.979 -0.555 . . . . 2.37 109.745 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.496 ' HB2' HD11 ' A' ' 135' ' ' LEU . 73.7 m-85 -65.23 -31.6 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.001 0.741 . . . . 1.01 113.001 -170.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.21 -36.01 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.345 0.593 . . . . 2.14 110.079 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 104' ' ' LYS . 13.7 m-20 -82.13 -29.4 31.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 0.67 110.164 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.03 -58.96 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.64 -0.709 . . . . 1.06 109.857 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.56 HG22 ' SG ' ' A' ' 128' ' ' CYS . 8.0 mt -57.05 -34.22 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.553 -0.749 . . . . 1.23 111.071 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -54.02 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.615 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.426 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 85.1 m-85 -77.5 -20.41 54.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.301 -0.408 . . . . 0.36 111.425 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.675 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 6.8 m-30 -60.04 -55.66 31.18 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.735 -0.386 . . . . 0.89 109.996 172.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.44 ' HA ' HD22 ' A' ' 116' ' ' LEU . 17.6 t-20 -60.85 -25.97 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.243 0.544 . . . . 1.78 110.731 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.5 mmtm -70.65 -29.78 66.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.85 110.856 175.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.54 ' HB3' HG11 ' A' ' 124' ' ' VAL . 36.1 t -71.41 -42.1 68.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.024 -0.732 . . . . 1.41 109.024 173.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.476 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -59.98 -24.31 64.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.674 -0.694 . . . . 1.09 109.812 173.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -74.98 -31.83 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.326 -0.852 . . . . 1.07 111.692 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -99.99 -49.99 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.824 0.305 . . . . 0.53 111.824 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.679 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.1 t-160 -142.81 96.49 2.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.646 . . . . 0.55 109.637 -176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.476 ' HG3' HD12 ' A' ' 116' ' ' LEU . 45.8 ttm105 -66.36 110.73 3.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.987 -1.006 . . . . 3.5 110.936 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.8 p -137.29 146.92 56.07 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 1.27 110.508 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -64.01 -25.09 66.56 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.482 2.788 . . . . 1.08 113.372 -171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.48 -50.96 65.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.633 0.254 . . . . 2.2 110.676 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -73.06 -32.78 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.372 -0.531 . . . . 1.09 109.934 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.98 -47.41 84.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.969 -0.752 . . . . 1.29 108.969 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -56.68 -48.64 77.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 2.55 110.594 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 8.3 mptt -62.08 -37.72 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.765 -0.652 . . . . 2.06 111.593 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.56 ' SG ' HG22 ' A' ' 109' ' ' ILE . 42.1 t -66.71 -37.53 84.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.934 -0.575 . . . . 1.74 110.131 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.75 -41.9 64.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 1.8 109.679 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 134' ' ' ILE . 39.7 tp60 -55.86 -56.24 22.93 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.248 -0.887 . . . . 2.14 110.506 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.61 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 1.02 111.783 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 12.2 tt0 -67.98 -47.95 67.15 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.67 -0.412 . . . . 2.04 110.37 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.49 -30.29 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 2.42 110.418 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 130' ' ' GLN . 64.6 mt -68.14 -41.48 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.083 0.468 . . . . 1.1 110.791 174.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 105' ' ' TYR . 22.9 tp -61.69 -31.24 71.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.516 . . . . 1.96 110.173 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 54.6 mttm -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 3.76 110.171 176.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.9 -34.11 76.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.339 0.59 . . . . 2.28 109.613 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -69.46 -45.84 68.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.27 -0.877 . . . . 2.0 111.515 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.076 -0.964 . . . . 2.99 111.041 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.581 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.1 tp10 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.169 0.509 . . . . 3.26 110.083 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.451 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 2.9 m-20 -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.481 -0.782 . . . . 1.94 111.284 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.581 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 56.2 mttm -59.94 -48.09 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 2.71 111.119 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.4 -39.38 85.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.086 0.47 . . . . 3.21 110.246 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.554 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.16 -28.03 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.888 -0.596 . . . . 2.85 110.211 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -64.59 -34.87 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 1.14 110.642 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.58 -37.99 86.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 2.57 109.859 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -64.01 -46.13 85.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 3.36 109.91 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 38.6 mm-40 -63.32 -40.43 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.608 . . . . 0.54 111.058 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 17.8 ttpp -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.779 -0.368 . . . . 1.39 110.454 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -66.45 -43.58 85.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.6 -0.273 . . . . 2.32 110.988 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 1.24 110.642 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -49.31 64.96 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.647 -0.706 . . . . 0.41 111.518 174.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.964 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 4.1 t-20 -62.74 -35.91 81.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.324 0.583 . . . . 1.94 110.707 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.44 -45.43 90.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.412 -0.813 . . . . 0.93 110.654 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.32 -32.91 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 1.19 110.16 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 77.6 t80 -58.56 -38.53 78.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.996 -1.002 . . . . 1.11 110.249 175.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 96.8 mttt -74.39 -13.61 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 2.27 111.277 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -105.45 11.58 32.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.315 -0.402 . . . . 2.78 110.733 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.54 22.99 12.7 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.197 0.522 . . . . 2.84 111.342 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.1 t0 -95.14 64.25 2.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.451 -1.315 . . . . 1.62 107.451 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 83.8 m-85 -64.63 -28.46 69.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.243 -0.89 . . . . 0.86 112.467 -167.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 7.8 m-20 -68.53 -43.04 77.6 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.635 -0.426 . . . . 1.93 110.306 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -69.37 -35.3 75.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.963 -0.562 . . . . 1.15 110.27 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -56.93 14.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.601 . . . . 1.1 110.162 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD11 ' HZ3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -60.24 -27.96 67.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.162 -0.926 . . . . 1.44 109.907 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.46 -52.29 58.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 2.0 110.562 179.151 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.49 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.28 -30.94 60.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.57 110.845 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.964 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 6.1 m-85 -61.38 -50.02 74.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.998 0.428 . . . . 1.07 110.195 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 20.1 t70 -63.35 -38.74 92.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.694 -0.685 . . . . 1.51 110.238 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' HD11 ' A' ' 43' ' ' LEU . 55.6 tptt -59.76 -42.76 93.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.176 -0.92 . . . . 1.87 110.169 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 1.05 110.418 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.88 -29.88 68.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 2.0 110.19 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.13 -33.29 73.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.697 -0.683 . . . . 2.78 109.708 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 8.4 mp -79.25 -41.06 29.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.133 -0.94 . . . . 1.11 110.907 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' HG2' ' A' ' 11' ' ' LYS . 14.9 t70 -138.91 101.08 7.88 Favored Pre-proline 0 C--O 1.218 -0.567 0 C-N-CA 120.824 -0.35 . . . . 1.11 110.804 171.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.1 -14.65 15.01 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.293 2.662 . . . . 0.74 112.519 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 p -86.12 14.85 5.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.09 0.948 . . . . 1.15 110.345 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.584 HD22 HG13 ' A' ' 51' ' ' ILE . 1.8 p-10 -84.06 138.78 32.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 113.937 -1.483 . . . . 2.13 110.026 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.523 ' HE2' HG12 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -85.71 -40.86 15.68 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.519 -0.873 . . . . 1.05 110.355 163.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -59.24 4.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.274 0.842 . . . . 1.3 113.274 -168.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.637 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 1.8 m-30 -49.25 -31.7 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.99 110.983 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.584 HG13 HD22 ' A' ' 47' ' ' ASN . 77.0 mt -77.61 -43.86 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.959 -0.564 . . . . 1.13 110.534 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 74' ' ' ALA . 62.1 p -69.26 -28.92 66.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.141 0.496 . . . . 1.04 110.055 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -66.88 -41.73 86.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 2.0 109.433 175.245 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 26.2 mt-30 -58.38 -48.95 78.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.142 0.496 . . . . 2.0 109.896 172.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.53 -41.78 73.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.127 -0.942 . . . . 1.09 110.717 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.4 77.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.613 -0.721 . . . . 1.07 110.746 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 61.1 t -64.67 -48.69 83.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 116.308 -0.405 . . . . 1.11 110.541 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 63.8 m-85 -56.59 -38.29 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.696 0.284 . . . . 0.91 110.618 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.41 -45.76 76.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 0.7 109.842 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mm-40 -73.59 -29.46 62.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.508 -0.769 . . . . 1.42 110.747 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.6 mtmt -74.09 -23.09 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.572 -0.74 . . . . 1.7 110.964 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.8 0.37 34.22 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.41 112.328 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 58' ' ' TYR . 8.7 t0 -97.13 84.74 3.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.013 -0.366 . . . . 1.26 110.013 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.64 -16.52 58.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.063 0.459 . . . . 0.9 110.358 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.92 -50.2 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 2.75 110.23 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.491 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.1 tptt -62.18 -38.58 89.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 1.33 110.63 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.6 -47.66 81.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.032 -0.531 . . . . 1.93 109.643 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.614 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 24.7 ttp-105 -59.78 -39.77 86.02 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.354 0.597 . . . . 3.88 110.97 174.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 42.4 tt0 -58.49 -50.47 73.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.275 -0.875 . . . . 2.08 111.278 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.0 mt -81.0 -37.95 28.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.157 -0.474 . . . . 1.05 112.208 -170.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.619 ' SG ' HG12 ' A' ' 95' ' ' ILE . 6.6 p -57.53 -57.71 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.669 0.248 . . . . 1.1 111.669 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 2.09 110.91 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -62.27 -50.59 71.1 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.911 -0.403 . . . . 1.82 109.911 173.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 51' ' ' ILE . . . -59.08 -43.8 91.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.723 -0.672 . . . . 1.05 110.877 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 mt -61.76 -43.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 1.08 110.433 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.84 -48.38 79.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 2.35 109.677 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 t -59.68 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 114.977 -1.01 . . . . 1.04 111.843 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.62 -45.19 78.67 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.816 -0.707 . . . . 0.27 112.428 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 79' ' ' ARG . 26.2 ttt85 -65.53 -23.73 66.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.62 0.724 . . . . 3.02 109.664 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -79.54 -45.65 18.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.958 -1.019 . . . . 1.96 110.542 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -99.51 27.98 4.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.411 -0.813 . . . . 1.86 111.438 -172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 28.84 9.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.163 0.985 . . . . 5.39 112.799 172.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -75.2 163.43 27.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.693 -0.685 . . . . 1.6 110.625 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 24.0 t70 -50.99 118.57 3.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.482 -0.781 . . . . 0.82 111.938 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.471 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 9.8 p90 -78.57 -21.35 48.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.369 -0.378 . . . . 0.95 110.958 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 92.9 mtt180 -64.88 -38.42 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.704 -0.85 . . . . 3.57 108.704 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.427 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 5.7 tp-100 -65.18 -40.98 94.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.195 -1.366 . . . . 2.13 109.96 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.523 HG12 ' HE2' ' A' ' 48' ' ' MET . 11.7 mt -58.81 -40.66 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.757 -0.656 . . . . 1.04 111.259 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.72 -38.42 90.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.986 0.422 . . . . 1.07 110.603 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HB3' ' HZ3' ' A' ' 90' ' ' LYS . 2.6 mmmp? -70.1 -26.81 64.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.741 -0.466 . . . . 1.87 109.741 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.549 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.15 -51.99 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.946 -0.57 . . . . 1.05 109.657 170.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 24.1 m-85 -53.05 -42.94 66.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.832 0.708 . . . . 0.93 111.821 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.84 89.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.045 -0.525 . . . . 1.06 110.718 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 72.3 mtt85 -66.57 -40.03 88.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.385 . . . . 2.02 110.449 176.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.619 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.7 mt -62.44 -52.19 62.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.126 0.488 . . . . 1.05 109.724 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.29 -36.01 89.75 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.269 -0.878 . . . . 0.23 111.707 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 55.8 t30 -75.57 -26.39 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.712 -0.287 . . . . 2.18 110.83 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 m -64.2 -47.41 79.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.154 -0.684 . . . . 1.07 109.154 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.515 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 61.1 m-85 -62.75 -42.45 99.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.131 -0.941 . . . . 1.06 110.255 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.05 -46.08 68.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.54 110.615 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.5 mmmt -70.48 -37.44 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.431 . . . . 1.31 111.095 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.2 pt-20 -83.92 -0.53 51.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.57 111.175 -172.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 78.16 24.96 0.64 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.296 -0.865 . . . . 1.59 111.156 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 49.3 mttp -102.86 66.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.379 -0.6 . . . . 2.37 109.379 171.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -66.64 -28.59 68.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.482 -0.781 . . . . 1.01 112.732 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.61 -42.51 95.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 2.14 110.4 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.09 -28.49 57.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.67 110.357 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.36 -57.17 13.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.699 -0.682 . . . . 1.06 110.33 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.683 HG21 ' SG ' ' A' ' 128' ' ' CYS . 16.6 mt -61.22 -32.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.126 -0.943 . . . . 1.23 111.265 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -54.14 -60.34 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.028 -0.533 . . . . 0.51 110.49 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 93.7 m-85 -76.54 -20.57 56.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.856 -0.611 . . . . 0.36 111.031 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' CD1' HG12 ' A' ' 124' ' ' VAL . 4.9 m-85 -60.96 -56.2 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.866 -0.42 . . . . 0.89 109.866 171.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 116' ' ' LEU . 24.7 t-20 -61.33 -25.41 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.024 0.44 . . . . 1.78 110.871 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.573 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 10.9 mmtm -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 1.85 110.888 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.543 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.4 t -72.25 -43.06 64.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.873 -0.788 . . . . 1.41 108.873 173.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 113' ' ' ASN . 2.5 mm? -58.32 -29.3 65.8 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.992 -0.549 . . . . 1.09 109.765 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -65.42 -52.0 56.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.235 -0.893 . . . . 1.07 111.23 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -81.3 -50.52 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.362 . . . . 0.53 111.8 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.8 t-160 -144.09 97.34 3.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.454 0.645 . . . . 0.55 109.417 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 120' ' ' ARG . 17.8 ttp180 -60.72 112.34 1.98 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.624 -1.171 . . . . 3.5 111.232 -177.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 16.1 p -129.27 134.5 26.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 1.27 110.944 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 126' ' ' LYS . 11.1 Cg_endo -51.72 -31.87 43.17 Favored 'Trans proline' 0 C--N 1.337 -0.072 0 C-N-CA 124.718 3.612 . . . . 1.08 113.684 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.39 -47.31 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 111.815 0.302 . . . . 2.2 111.815 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.543 HG11 ' HB3' ' A' ' 115' ' ' SER . 16.3 t -67.22 -31.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.755 -0.778 . . . . 1.09 109.6 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.73 -46.78 80.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.202 -0.666 . . . . 1.29 109.202 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.04 -36.07 80.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.356 -0.838 . . . . 2.55 110.27 177.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -76.82 -35.49 57.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.023 -0.989 . . . . 2.06 111.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.683 ' SG ' HG21 ' A' ' 109' ' ' ILE . 37.6 t -67.54 -45.28 76.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.924 -0.58 . . . . 1.74 110.582 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.85 -25.93 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 1.8 110.691 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 134' ' ' ILE . 8.3 tt0 -67.43 -44.8 77.86 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.177 -0.465 . . . . 2.14 110.319 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.2 88.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.171 0.434 . . . . 1.02 112.171 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.46 -35.28 77.35 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.479 -0.488 . . . . 2.04 111.229 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.479 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 15.1 ptmm? -74.57 -39.2 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.415 -0.514 . . . . 2.42 109.932 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 27.7 mt -58.94 -50.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 116.333 -0.394 . . . . 1.1 110.721 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.517 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 24.9 tp -62.51 -37.51 86.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.057 -0.52 . . . . 1.96 110.269 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.4 -35.12 78.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 3.76 110.387 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 39.8 mt-10 -73.96 -26.59 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 2.28 110.672 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 85.8 mm-40 -81.47 -19.66 41.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 2.0 111.352 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 38.0 mt-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.592 -0.718 . . . . 2.99 110.576 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 12.6 pt-20 . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.037 -0.357 . . . . 3.26 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.478 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 91.1 m-20 -84.05 -22.69 31.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 1.94 110.8 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.05 -53.66 55.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 2.71 111.508 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' HZ1' ' HB2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -67.98 -34.27 76.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.0 0.428 . . . . 3.21 110.302 -178.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.568 ' HB3' HD22 ' A' ' 43' ' ' LEU . 18.4 tt0 -65.53 -34.82 79.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.041 -0.527 . . . . 2.85 110.356 176.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.533 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -58.4 -35.66 72.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.937 -0.574 . . . . 1.14 110.382 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.3 tm? -63.4 -41.28 98.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.718 -0.674 . . . . 2.57 109.328 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -67.38 -42.58 83.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 3.36 110.33 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 24.0 mm-40 -61.14 -37.59 83.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.407 -0.36 . . . . 0.54 110.917 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 32.7 ttpt -63.46 -40.59 97.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.916 0.389 . . . . 1.39 110.122 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 64.4 mt-10 -70.19 -44.29 69.0 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.086 -0.507 . . . . 2.32 110.928 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.38 -39.72 88.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.431 . . . . 1.24 110.717 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.19 -52.9 36.7 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.741 -0.742 . . . . 0.41 111.52 174.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.637 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 16.5 t-20 -56.98 -34.34 68.0 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.267 0.556 . . . . 1.94 111.647 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.42 -46.24 77.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.784 -0.643 . . . . 0.93 110.904 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -68.31 -34.28 75.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.668 -0.696 . . . . 1.19 110.013 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 69.1 t80 -55.38 -39.36 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.679 -1.146 . . . . 1.11 110.606 175.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.637 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 96.7 mttt -70.6 -27.25 63.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.304 -0.862 . . . . 2.27 111.786 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -101.13 24.75 8.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.508 0.194 . . . . 2.78 111.462 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 60.14 16.78 6.28 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.526 0.565 . . . . 2.84 112.526 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 7.4 t0 -91.46 64.29 5.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 1.62 107.947 172.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' O ' HG11 ' A' ' 57' ' ' VAL . 89.8 m-85 -64.28 -24.96 67.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.423 -0.808 . . . . 0.86 111.493 -172.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 14.2 m-20 -66.78 -52.64 41.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.995 0.426 . . . . 1.93 109.872 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.5 m -66.11 -33.88 76.79 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.987 -0.552 . . . . 1.15 110.693 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.89 -56.51 20.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.921 -0.582 . . . . 1.1 110.57 176.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.79 -28.82 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 1.44 109.934 -179.148 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.72 -51.78 66.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.752 -0.658 . . . . 2.0 111.177 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.4 m-70 -72.52 -32.47 66.16 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.57 110.469 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.612 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 2.1 m-85 -62.87 -47.69 82.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.097 -0.501 . . . . 1.07 110.777 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.36 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.972 0.415 . . . . 1.51 110.289 172.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 17' ' ' GLU . 23.2 tptm -61.46 -46.45 90.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 1.87 110.501 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.9 72.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.415 -0.357 . . . . 1.05 110.785 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 61.4 tttm -68.55 -32.09 71.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 2.0 110.605 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -74.38 -24.01 59.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 2.78 110.424 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 HD22 ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -85.37 -44.41 12.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.708 -0.678 . . . . 1.11 110.498 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 12.7 t70 -142.63 96.29 6.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 1.11 110.72 171.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.78 -17.09 23.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 123.406 2.737 . . . . 0.74 113.02 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p -82.22 -17.67 45.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.055 -0.521 . . . . 1.15 111.123 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.629 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 7.6 t30 -80.91 89.94 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 2.13 109.461 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.551 ' HE2' HG12 ' A' ' 88' ' ' ILE . 20.7 ptm -53.58 -27.9 29.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.034 -0.985 . . . . 1.05 111.638 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.629 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 23.3 m -55.03 -40.09 69.84 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.088 -0.505 . . . . 1.3 111.435 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.651 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.4 m-85 -62.78 -48.34 79.56 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.359 -0.608 . . . . 0.99 109.359 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.487 ' HA ' ' CD ' ' A' ' 54' ' ' GLN . 62.6 mt -62.4 -42.08 94.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.891 -1.049 . . . . 1.13 111.362 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.6 p -67.64 -26.62 66.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.04 0.448 . . . . 1.04 110.756 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.594 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 9.2 m120 -83.58 -32.61 25.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.961 -0.563 . . . . 2.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.651 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 16.4 mt-30 -56.7 -47.96 78.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.274 -1.01 . . . . 2.0 108.274 169.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.2 -32.62 64.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.109 -1.405 . . . . 1.09 111.643 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.8 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 1.07 111.029 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG11 ' HB2' ' A' ' 34' ' ' LEU . 25.7 t -64.66 -42.13 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 C-N-CA 120.649 -0.421 . . . . 1.11 110.49 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.632 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 93.4 m-85 -57.79 -32.38 67.48 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.424 -0.353 . . . . 0.91 110.542 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.594 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 24.9 t80 -61.76 -42.76 99.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.569 0.7 . . . . 0.7 109.372 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.86 -28.16 44.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 1.42 110.876 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 3.8 mtmp? -70.88 -25.99 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.7 111.042 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.4 -7.63 40.12 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.41 111.755 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.56 61.77 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.953 0.501 . . . . 1.26 110.791 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.78 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 77.2 m-85 -60.24 -33.47 72.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.267 0.469 . . . . 0.9 112.267 -172.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -25.27 63.19 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.535 -0.466 . . . . 2.75 111.246 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.632 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -77.29 -34.57 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.367 -0.605 . . . . 1.33 109.367 176.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.9 m -59.97 -37.29 79.2 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.405 -0.961 . . . . 1.93 108.405 176.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HG3' ' OH ' ' A' ' 99' ' ' TYR . 3.9 tmm_? -67.84 -52.12 40.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.97 -1.014 . . . . 3.88 109.752 172.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.29 -45.17 62.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.132 -0.94 . . . . 2.08 111.812 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 27.2 mt -79.24 -37.26 38.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.585 0.587 . . . . 1.05 112.585 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -65.26 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.37 -0.532 . . . . 1.1 111.524 -177.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' HG3' HD13 ' A' ' 95' ' ' ILE . 3.5 mt-10 -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.726 0.298 . . . . 2.09 110.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.2 tpmt? -65.55 -49.25 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 1.82 109.784 173.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' C ' ' HE3' ' A' ' 48' ' ' MET . . . -59.42 -40.0 85.27 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.514 -0.766 . . . . 1.05 110.67 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 71' ' ' CYS . 43.1 mt -65.03 -42.13 93.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.469 -0.332 . . . . 1.08 110.717 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.2 -40.79 86.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.283 0.563 . . . . 2.35 109.626 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.1 t -68.88 -47.07 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.141 -0.936 . . . . 1.04 111.387 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.498 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.24 -47.94 61.44 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.275 -0.488 . . . . 0.27 112.554 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -66.89 -20.22 65.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.229 0.538 . . . . 3.02 110.058 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.13 -51.68 9.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.648 . . . . 1.96 110.707 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.8 7.77 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.372 -0.831 . . . . 1.86 111.59 -173.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 64.32 41.86 5.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.77 -0.65 . . . . 5.39 110.69 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 7.2 tp10 -87.96 167.29 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 1.6 110.522 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.24 115.4 1.42 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.314 0.578 . . . . 0.82 112.544 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.438 ' HA ' HD11 ' A' ' 88' ' ' ILE . 54.3 p90 -71.42 -22.29 61.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.95 110.971 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.424 ' HB3' ' ND1' ' A' ' 119' ' ' HIS . 78.4 mtt180 -72.55 -35.9 68.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.935 -0.765 . . . . 3.57 108.935 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.37 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.583 -1.189 . . . . 2.13 109.487 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.551 HG12 ' HE2' ' A' ' 48' ' ' MET . 25.9 mt -60.39 -43.01 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.428 -0.805 . . . . 1.04 110.976 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.718 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.1 -37.78 88.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.047 -0.524 . . . . 1.07 110.624 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -31.08 69.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.87 110.299 175.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.35 -45.39 87.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.633 -0.506 . . . . 1.05 109.633 172.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -61.14 -42.69 98.99 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.93 111.31 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.45 77.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.109 -0.496 . . . . 1.06 110.834 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -73.32 -35.25 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.505 -0.316 . . . . 2.02 110.356 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 91' ' ' ALA . 66.2 mt -62.86 -52.35 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.167 0.508 . . . . 1.05 109.69 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.39 -34.54 81.22 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.454 -0.879 . . . . 0.23 111.197 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.602 ' HA ' ' HH ' ' A' ' 112' ' ' TYR . 64.6 t30 -70.24 -38.48 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.865 -0.168 . . . . 2.18 111.288 -178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 p -63.0 -38.58 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 1.07 110.03 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.58 ' OH ' ' HG3' ' A' ' 68' ' ' ARG . 49.3 m-85 -70.91 -42.9 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 1.06 110.375 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -55.55 -38.23 69.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.443 -0.798 . . . . 0.54 110.421 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.594 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.6 tppt? -80.7 -21.39 41.28 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.255 -0.884 . . . . 1.31 111.822 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.487 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.0 pt-20 -102.14 2.86 37.88 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.951 -0.3 . . . . 0.57 111.431 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 41.5 mt-10 78.97 14.35 1.15 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.68 0.792 . . . . 1.59 112.545 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.8 mttp -92.53 59.66 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.443 0.64 . . . . 2.37 109.92 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.515 ' HB2' HD12 ' A' ' 135' ' ' LEU . 87.1 m-85 -62.96 -26.48 68.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.814 . . . . 1.01 112.177 -174.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -59.24 -50.36 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.624 -0.51 . . . . 2.14 109.624 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.22 -33.66 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.577 -0.738 . . . . 0.67 110.762 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.48 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -52.14 -57.02 10.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 1.06 110.802 178.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.612 HG21 ' SG ' ' A' ' 128' ' ' CYS . 17.6 mt -63.14 -33.95 63.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 1.23 111.562 -177.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -55.85 -53.78 52.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.51 110.331 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 97.0 m-85 -77.45 -22.56 51.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.959 -0.564 . . . . 0.36 111.07 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.602 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 6.9 m-30 -61.82 -52.65 63.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.791 -0.448 . . . . 0.89 109.791 171.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.39 -23.77 67.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 1.78 110.716 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 17.0 mmtt -71.58 -32.1 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 1.85 110.51 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.536 ' HB3' HG12 ' A' ' 124' ' ' VAL . 32.4 t -70.68 -43.92 68.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.957 -0.757 . . . . 1.41 108.957 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 120' ' ' ARG . 2.5 mm? -58.12 -28.63 64.83 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.014 -0.539 . . . . 1.09 109.862 173.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -67.21 -49.23 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.328 -0.851 . . . . 1.07 111.278 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -83.69 -49.4 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.011 0.375 . . . . 0.53 112.011 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.718 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.7 t-160 -145.17 97.4 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.273 0.559 . . . . 0.55 109.997 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.479 ' HG3' HD11 ' A' ' 116' ' ' LEU . 34.4 ttp180 -66.79 118.89 10.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.393 -0.821 . . . . 3.5 110.916 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 p -140.17 136.31 16.91 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 1.27 110.849 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.97 -31.81 16.6 Favored 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 124.977 3.785 . . . . 1.08 114.005 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -69.59 -47.83 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.804 0.298 . . . . 2.2 111.804 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.536 HG12 ' HB3' ' A' ' 115' ' ' SER . 4.5 t -70.98 -31.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.086 -0.645 . . . . 1.09 109.773 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.52 -45.41 87.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.002 -0.74 . . . . 1.29 109.002 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -55.57 -50.25 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.696 -1.138 . . . . 2.55 110.471 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.8 mptt -61.25 -40.97 96.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 2.06 111.707 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.612 ' SG ' HG21 ' A' ' 109' ' ' ILE . 40.5 t -63.02 -50.37 70.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.845 -0.616 . . . . 1.74 110.451 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.63 -35.4 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.8 110.342 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -59.62 -49.39 77.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.719 -0.673 . . . . 2.14 110.416 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.12 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.108 -0.496 . . . . 1.02 112.267 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.6 pt-20 -68.97 -42.77 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.358 -0.537 . . . . 2.04 111.167 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.474 ' HB2' ' HZ3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -65.88 -34.79 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.53 -0.468 . . . . 2.42 110.111 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 130' ' ' GLN . 48.4 mt -65.35 -52.5 51.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 1.1 110.722 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.523 HD13 ' NE2' ' A' ' 138' ' ' GLN . 21.2 tp -59.98 -37.26 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.663 -0.698 . . . . 1.96 110.764 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 136' ' ' LYS . 72.3 mmtt -73.61 -15.17 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 3.76 111.566 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 133' ' ' LYS . 69.5 mm-40 -79.95 -23.99 41.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.249 0.547 . . . . 2.28 109.902 171.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.523 ' NE2' HD13 ' A' ' 135' ' ' LEU . 19.7 mt-30 -81.44 -50.5 9.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 2.0 111.041 -175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 5.3 pt-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.337 -0.839 . . . . 2.99 111.224 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.198 0.523 . . . . 3.26 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.0 -20.99 65.83 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.363 -0.835 . . . . 1.94 112.708 -174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -53.87 -44.83 70.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.797 0.332 . . . . 2.71 111.2 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.49 -42.69 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 3.21 110.597 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.518 ' HB3' HD22 ' A' ' 43' ' ' LEU . 7.6 tt0 -69.38 -29.22 66.94 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.989 -0.551 . . . . 2.85 110.241 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.0 -33.5 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 1.14 110.282 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.2 mt -64.59 -41.07 96.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.052 -0.351 . . . . 2.57 110.052 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -64.9 -43.47 92.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 3.36 110.017 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -63.67 -38.48 91.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.54 110.7 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.3 ttpp -61.62 -40.29 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 1.39 110.136 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -36.22 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.262 -0.426 . . . . 2.32 111.506 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 1.3 mm? -65.85 -39.09 90.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.028 0.442 . . . . 1.24 110.167 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -69.32 -48.56 44.65 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 111.357 -0.697 . . . . 0.41 111.357 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.0 t-20 -57.79 -37.62 74.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 1.94 111.038 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.56 -49.59 74.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.736 -0.666 . . . . 0.93 110.487 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.95 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.648 -0.706 . . . . 1.19 110.092 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 62.2 t80 -58.8 -41.5 86.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.252 -0.886 . . . . 1.11 110.082 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.62 -20.81 58.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 2.27 110.938 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -94.19 4.79 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.929 -0.578 . . . . 2.78 110.382 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp 64.2 17.31 10.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.598 -0.728 . . . . 2.84 111.71 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 1.0 OUTLIER -89.6 64.0 6.45 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.774 -0.824 . . . . 1.62 108.774 172.492 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 81.8 m-85 -64.53 -34.06 77.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.86 112.799 -169.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 7.0 m-20 -64.1 -43.94 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.213 0.53 . . . . 1.93 109.624 176.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 75.8 m -69.97 -35.72 74.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.509 -0.769 . . . . 1.15 110.504 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.74 -54.47 45.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.974 -0.557 . . . . 1.1 110.281 176.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.53 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -62.69 -30.54 71.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.273 -0.876 . . . . 1.44 110.074 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.4 tppt? -60.22 -48.27 82.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.685 -0.689 . . . . 2.0 110.673 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.1 m-70 -79.05 -36.01 41.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.101 -0.24 . . . . 0.57 110.804 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 4.2 m-85 -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 1.07 110.322 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.551 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 22.0 t70 -67.94 -32.93 73.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.714 -0.675 . . . . 1.51 110.139 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -61.34 -44.1 97.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.215 -0.902 . . . . 1.87 109.979 173.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.57 77.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.541 . . . . 1.05 110.586 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.453 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 62.2 tttm -69.54 -28.57 66.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 2.0 110.412 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.77 -41.29 60.33 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.838 -0.801 . . . . 2.78 108.838 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 13' ' ' GLN . 9.2 mp -65.92 -50.32 64.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.535 -0.757 . . . . 1.11 110.718 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' OD2' ' HB2' ' A' ' 47' ' ' ASN . 34.4 t0 -139.88 99.96 7.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 121.441 0.639 . . . . 1.11 111.835 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.54 -14.33 14.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.375 2.717 . . . . 0.74 113.186 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -85.89 -9.86 56.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.368 0.604 . . . . 1.15 110.633 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.54 HD22 ' HB ' ' A' ' 49' ' ' THR . 8.2 t30 -88.44 90.58 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.135 -0.691 . . . . 2.13 109.135 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE1' HG12 ' A' ' 88' ' ' ILE . 20.4 ptm -55.01 -25.8 32.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.166 -0.924 . . . . 1.05 111.762 -174.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.54 ' HB ' HD22 ' A' ' 47' ' ' ASN . 42.2 m -60.95 -30.4 70.21 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.045 -0.525 . . . . 1.3 111.934 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.4 m-85 -70.36 -43.11 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.517 0.675 . . . . 0.99 109.234 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.624 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 63.4 mt -66.34 -41.69 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.517 -1.22 . . . . 1.13 111.352 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -69.11 -28.44 66.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.981 0.42 . . . . 1.04 110.992 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 17.5 m-80 -81.7 -32.25 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.196 -0.457 . . . . 2.0 110.41 177.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.624 ' OE1' ' HA ' ' A' ' 51' ' ' ILE . 46.5 mt-30 -55.76 -50.44 70.4 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.837 0.827 . . . . 2.0 109.404 168.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.64 -39.16 70.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.125 -1.398 . . . . 1.09 111.014 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -28.61 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.798 -0.637 . . . . 1.07 111.17 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.53 HG11 ' HB2' ' A' ' 34' ' ' LEU . 46.8 t -71.08 -47.82 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.518 -0.31 . . . . 1.11 110.217 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 79.0 m-85 -55.76 -36.78 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.91 110.367 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.6 -44.34 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.7 110.523 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 12.5 mm-40 -78.95 -30.82 44.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 1.42 111.307 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -66.41 -21.52 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.85 -0.614 . . . . 1.7 110.876 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.58 49.08 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.007 -0.837 . . . . 0.41 111.007 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -93.86 67.34 3.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.975 -0.612 . . . . 1.26 110.137 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -65.09 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.9 111.209 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.55 -32.0 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.432 -0.349 . . . . 2.75 110.798 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.604 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -73.82 -35.14 64.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.71 -0.478 . . . . 1.33 109.71 176.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.526 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 43.5 t -58.21 -40.87 82.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.348 -0.612 . . . . 1.93 109.348 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.83 -47.2 72.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 3.88 110.349 173.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -50.74 -52.0 44.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.719 -0.673 . . . . 2.08 111.032 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 26.7 mt -73.41 -43.29 60.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.632 -0.713 . . . . 1.05 112.41 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.1 m -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.445 -0.502 . . . . 1.1 111.373 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.98 -34.65 78.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 2.09 110.78 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.555 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -65.46 -47.87 74.65 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.535 -0.543 . . . . 1.82 109.535 175.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' C ' ' HE2' ' A' ' 48' ' ' MET . . . -56.68 -42.14 78.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.52 -0.764 . . . . 1.05 110.3 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 71' ' ' CYS . 50.2 mt -63.52 -43.37 98.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.958 -0.565 . . . . 1.08 110.904 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.72 -36.17 78.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.408 0.623 . . . . 2.35 109.829 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.75 -43.99 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.19 -0.913 . . . . 1.04 111.491 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.09 -44.38 45.13 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.996 -0.621 . . . . 0.27 112.416 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -65.8 -23.3 66.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.718 0.771 . . . . 3.02 109.571 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.19 -53.22 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.001 -1.0 . . . . 1.96 110.302 174.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.79 28.89 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.453 -0.794 . . . . 1.86 111.25 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.55 ' HD2' ' O ' ' A' ' 82' ' ' ARG . 1.2 ppt_? 50.53 37.12 15.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.745 0.818 . . . . 5.39 112.803 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.4 tp10 -83.0 166.39 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.514 -0.766 . . . . 1.6 110.261 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 29.4 t70 -50.14 110.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.56 -0.745 . . . . 0.82 112.21 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.486 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 23.1 p90 -68.67 -20.75 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.95 110.82 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 86.3 mtm180 -65.5 -41.29 93.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.09 -0.707 . . . . 3.57 109.09 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.14 -41.78 98.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.627 -1.169 . . . . 2.13 109.532 172.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.547 HG12 ' HE1' ' A' ' 48' ' ' MET . 13.5 mt -57.69 -41.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.58 -0.737 . . . . 1.04 111.49 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.683 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.42 -36.05 82.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.381 -0.372 . . . . 1.07 110.406 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.0 mmmt -67.68 -34.89 77.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.442 -0.577 . . . . 1.87 109.442 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.68 -48.0 81.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.651 -0.704 . . . . 1.05 109.959 173.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.1 m-85 -58.87 -45.17 90.8 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.93 111.241 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.33 86.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.907 -0.588 . . . . 1.06 110.677 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.526 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 34.1 ttm180 -74.25 -35.56 63.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 2.02 110.303 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.8 mt -59.59 -53.22 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.683 -0.488 . . . . 1.05 109.683 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.85 -35.49 91.4 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-N 115.475 -0.784 . . . . 0.23 111.78 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.0 t30 -66.73 -33.23 75.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.848 0.356 . . . . 2.18 110.649 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -62.81 -49.91 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 1.07 109.964 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.496 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.9 m-85 -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 1.06 110.328 176.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -61.07 -31.24 70.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.148 -0.933 . . . . 0.54 110.734 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -83.15 -35.47 25.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 1.31 110.849 177.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -88.66 0.29 56.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.57 111.431 -171.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 47.5 mt-10 76.98 23.84 0.93 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.664 0.786 . . . . 1.59 112.259 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 26.0 mtpp -100.68 56.66 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.718 . . . . 2.37 109.183 172.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.532 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 76.9 m-85 -61.19 -31.47 71.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 1.01 112.434 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -56.64 -43.45 80.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.437 0.637 . . . . 2.14 109.714 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.34 -35.53 61.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.269 -0.878 . . . . 0.67 110.223 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.66 -56.85 14.78 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.613 -0.721 . . . . 1.06 110.805 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mt -62.6 -34.42 65.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 1.23 111.274 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -55.62 -55.07 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.51 110.49 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 96.3 m-85 -77.19 -20.88 54.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.068 -0.515 . . . . 0.36 110.989 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 1.001 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m-30 -62.41 -51.0 69.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.773 -0.454 . . . . 0.89 109.773 170.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -62.23 -28.66 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.78 110.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.579 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 18.6 mmtt -69.68 -30.46 68.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.779 -0.646 . . . . 1.85 110.468 174.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.522 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.1 t -72.75 -42.65 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.106 -0.702 . . . . 1.41 109.106 174.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 128' ' ' CYS . 1.2 mm? -56.93 -32.01 65.53 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 121.338 0.59 . . . . 1.09 109.523 171.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -64.36 -44.95 89.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.06 -0.973 . . . . 1.07 111.69 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.52 -50.37 6.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.968 0.359 . . . . 0.53 111.968 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.683 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.0 t-160 -143.76 99.09 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.396 0.617 . . . . 0.55 109.83 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.37 123.66 18.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.783 -1.099 . . . . 3.5 110.72 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.5 p -137.71 147.37 56.82 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.65 -0.705 . . . . 1.27 110.277 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.9 Cg_exo -71.41 -25.94 20.96 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.033 2.489 . . . . 1.08 111.022 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.49 -52.92 40.9 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.104 -0.953 . . . . 2.2 111.045 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.753 HG13 ' SG ' ' A' ' 128' ' ' CYS . 49.1 t -65.33 -47.65 86.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 119.954 -0.699 . . . . 1.09 109.185 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.46 -46.42 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.206 0.527 . . . . 1.29 110.179 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -56.65 -38.61 72.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 2.55 110.853 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -73.69 -40.67 63.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.035 -0.984 . . . . 2.06 111.862 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 1.001 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 16.8 m -62.11 -45.1 94.99 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.421 -0.585 . . . . 1.74 109.421 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 24.3 mt-30 -70.55 -22.88 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.279 -0.873 . . . . 1.8 110.661 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.614 ' OE1' ' HD2' ' A' ' 133' ' ' LYS . 7.4 tp60 -76.94 -45.51 27.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.99 0.424 . . . . 2.14 110.49 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.78 79.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.406 -0.361 . . . . 1.02 111.687 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -74.68 -32.39 62.19 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.838 -0.345 . . . . 2.04 111.739 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.614 ' HD2' ' OE1' ' A' ' 130' ' ' GLN . 5.3 ptpp? -76.48 -35.78 58.23 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.055 -0.403 . . . . 2.42 110.215 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 57.4 mt -59.85 -41.8 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 1.1 110.065 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.532 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -69.91 -18.89 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.185 -0.461 . . . . 1.96 111.603 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 62.1 mttp -72.61 -30.03 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.511 . . . . 3.76 109.685 173.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -81.51 -41.11 22.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.657 -0.701 . . . . 2.28 110.227 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 138' ' ' GLN . 17.4 mm-40 -80.02 -63.8 1.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.73 -0.668 . . . . 2.0 111.606 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.249 1.079 0 O-C-N 123.911 0.757 . . . . 2.99 110.904 -177.663 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.323 -0.251 . . . . 3.26 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.36 -22.36 28.47 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 122.312 -0.242 . . . . 1.94 111.038 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.67 -49.36 77.85 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.32 0.489 . . . . 2.71 112.32 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.27 -37.84 88.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 3.21 110.679 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.528 ' HB3' HD21 ' A' ' 43' ' ' LEU . 27.6 tt0 -67.15 -31.51 71.99 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.239 -0.437 . . . . 2.85 110.07 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -63.27 -35.76 81.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 1.14 110.314 177.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 51.9 mt -63.26 -43.42 98.02 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.886 -0.413 . . . . 2.57 109.886 174.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 3.36 110.374 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 55.6 mm-40 -63.94 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.539 -0.3 . . . . 0.54 110.868 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 20.7 ttpp -65.51 -38.55 90.02 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.867 -0.333 . . . . 1.39 110.394 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 53.3 mt-10 -66.93 -42.29 85.56 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.638 0.256 . . . . 2.32 110.346 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.09 -41.78 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 1.24 110.685 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -50.13 60.54 Favored Glycine 0 C--O 1.223 -0.567 0 CA-C-N 115.788 -0.642 . . . . 0.41 111.687 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 21.8 t-20 -64.82 -35.38 80.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.573 0.225 . . . . 1.94 111.335 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.581 ' O ' ' HD3' ' A' ' 27' ' ' LYS . 10.2 t70 -60.14 -49.89 75.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 0.93 109.876 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.21 89.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 1.19 109.791 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 83.3 t80 -56.21 -40.84 74.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.855 -1.066 . . . . 1.11 110.706 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -68.17 -24.79 65.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.444 -1.253 . . . . 2.27 110.347 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HD3' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -97.9 11.55 37.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 2.78 109.596 175.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 55.91 27.72 11.5 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.15 -0.932 . . . . 2.84 112.599 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.44 74.61 10.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.958 -1.127 . . . . 1.62 107.958 170.304 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -58.89 -48.55 81.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.023 -0.99 . . . . 0.86 113.038 -165.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m-20 -64.37 -38.86 92.54 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.453 -0.499 . . . . 1.93 111.095 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.9 m -65.9 -41.47 91.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.074 0.464 . . . . 1.15 110.604 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HB2' ' HB2' ' A' ' 25' ' ' TYR . . . -59.95 -57.12 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 1.1 110.344 176.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HB2' HG12 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.12 -24.47 66.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.815 -1.084 . . . . 1.44 110.455 -178.419 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -66.32 -49.02 68.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.541 -0.754 . . . . 2.0 110.716 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.448 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -78.96 -31.26 44.92 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.864 -0.334 . . . . 0.57 110.312 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.6 m-85 -59.88 -38.77 83.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.376 -0.601 . . . . 1.07 109.376 172.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 12.6 t70 -66.63 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.147 -0.933 . . . . 1.51 110.136 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HE3' HD13 ' A' ' 43' ' ' LEU . 47.5 tptt -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.219 -0.901 . . . . 1.87 110.223 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.03 98.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.416 . . . . 1.05 110.412 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 2.0 110.693 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.05 -44.95 44.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.727 -0.67 . . . . 2.78 110.053 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD21 ' HB3' ' A' ' 13' ' ' GLN . 8.8 mp -62.8 -50.57 70.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.566 -0.743 . . . . 1.11 110.929 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -140.86 99.09 6.82 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 120.08 -0.648 . . . . 1.11 111.741 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' O ' HG11 ' A' ' 77' ' ' VAL . 64.2 Cg_endo -70.71 -24.52 25.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.757 2.305 . . . . 0.74 112.466 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.9 p -73.38 -10.91 60.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 1.15 111.683 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.537 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.7 t30 -87.48 93.98 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.03 -0.73 . . . . 2.13 109.03 171.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.514 ' HE2' HG12 ' A' ' 88' ' ' ILE . 20.9 ptm -56.67 -27.93 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.535 -0.757 . . . . 1.05 111.999 -171.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 ' HB ' HD22 ' A' ' 47' ' ' ASN . 32.8 m -61.12 -29.4 69.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 1.3 111.979 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 17.9 m-85 -69.34 -33.59 73.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.743 0.782 . . . . 0.99 109.373 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -80.35 -38.71 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 114.621 -1.172 . . . . 1.13 110.886 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.6 p -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 1.04 110.29 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.87 -33.1 74.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 2.0 110.265 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' HG2' HD21 ' A' ' 34' ' ' LEU . 5.5 mt-30 -59.07 -52.76 64.37 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.482 0.658 . . . . 2.0 110.005 170.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.76 -31.1 64.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 1.09 111.56 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.3 86.05 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.413 -0.358 . . . . 1.07 110.68 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.786 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 43.5 t -64.36 -39.46 85.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.571 -0.452 . . . . 1.11 111.116 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.499 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 72.0 m-85 -57.39 -29.46 64.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.91 110.16 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.732 ' N ' ' HG ' ' A' ' 67' ' ' CYS . 21.4 t80 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.829 -0.623 . . . . 0.7 109.772 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.786 ' OE1' ' HA ' ' A' ' 57' ' ' VAL . 1.7 mp0 -78.65 -35.57 45.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.493 0.663 . . . . 1.42 109.844 172.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.4 mtmt -69.9 -20.88 63.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.245 -0.889 . . . . 1.7 111.639 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.25 61.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.945 -0.645 . . . . 0.41 111.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.68 62.49 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.393 0.277 . . . . 1.26 110.786 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.741 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 71.4 m-85 -59.13 -30.68 68.32 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.179 0.437 . . . . 0.9 112.179 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.03 -35.03 72.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.953 0.406 . . . . 2.75 110.771 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.0 tptt -83.44 -36.06 24.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.267 -0.424 . . . . 1.33 111.153 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.741 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -58.72 -44.74 90.48 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.977 -0.749 . . . . 1.93 108.977 177.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.9 ttm180 -59.03 -51.32 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.886 -1.052 . . . . 3.88 110.124 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.23 -53.43 35.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.013 -0.994 . . . . 2.08 111.809 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 65.5 mt -74.21 -30.96 62.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.772 0.656 . . . . 1.05 112.772 -172.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.564 ' O ' HG13 ' A' ' 75' ' ' ILE . 93.3 m -66.71 -48.7 68.41 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.189 -0.604 . . . . 1.1 111.446 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 3.2 pt-20 -69.97 -28.68 65.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.614 -0.434 . . . . 2.09 110.718 178.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -64.71 -49.67 69.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.476 -0.565 . . . . 1.82 109.476 172.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' C ' ' HE3' ' A' ' 48' ' ' MET . . . -60.02 -39.41 85.77 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.442 -0.799 . . . . 1.05 110.421 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 71' ' ' CYS . 47.7 mt -64.87 -41.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.08 -0.248 . . . . 1.08 110.868 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.0 -44.68 94.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.346 0.593 . . . . 2.35 109.596 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 54.6 t -64.68 -45.58 94.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.869 -1.06 . . . . 1.04 111.29 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 83' ' ' GLU . . . -68.61 -39.34 86.61 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.095 -0.502 . . . . 0.27 112.105 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.89 -26.39 68.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.632 0.729 . . . . 3.02 109.157 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 35.2 tt0 -77.92 -48.57 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.779 -1.101 . . . . 1.96 110.981 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -88.68 3.92 49.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.483 -0.78 . . . . 1.86 112.036 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 64.71 48.14 2.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.409 0.623 . . . . 5.39 110.797 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' HB2' ' CA ' ' A' ' 78' ' ' GLY . 6.7 mm-40 -80.34 168.59 18.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.168 -0.924 . . . . 1.6 111.761 -178.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 31.3 t70 -57.29 116.14 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.624 -0.716 . . . . 0.82 111.066 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.564 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.6 p90 -73.02 -20.94 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.95 110.96 -176.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 53.9 mtm180 -67.04 -44.83 79.2 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.622 -0.881 . . . . 3.57 108.622 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -61.3 -35.68 77.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.018 -1.447 . . . . 2.13 110.018 172.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.564 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.6 mt -64.11 -40.82 90.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.605 -0.725 . . . . 1.04 111.316 175.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.65 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.34 -38.24 88.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 1.07 110.228 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.5 mmmm -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.16 -0.473 . . . . 1.87 109.825 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.82 -48.37 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 1.05 109.947 173.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 30.4 m-85 -56.43 -45.69 80.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.272 -0.422 . . . . 0.93 111.147 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.03 -35.61 80.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.719 -0.673 . . . . 1.06 110.878 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -77.01 -32.2 56.98 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.989 -0.284 . . . . 2.02 110.503 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 91' ' ' ALA . 86.0 mt -58.57 -53.67 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.987 -0.746 . . . . 1.05 108.987 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.37 -34.18 89.22 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.204 -0.907 . . . . 0.23 112.123 178.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.57 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 t30 -68.96 -34.37 75.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.812 0.339 . . . . 2.18 110.446 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 50.6 m -64.49 -48.25 75.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.759 -0.46 . . . . 1.07 109.759 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 45.7 m-85 -59.11 -41.71 88.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.775 -0.648 . . . . 1.06 110.239 174.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.79 -40.26 75.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.1 -0.955 . . . . 0.54 110.811 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.2 mmmt -73.79 -35.94 64.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.288 -0.415 . . . . 1.31 110.974 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -85.81 -2.41 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.57 110.631 -174.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 76.13 21.93 1.44 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.946 -1.025 . . . . 1.59 112.178 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.1 mttp -93.49 62.42 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 2.37 109.512 170.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.493 ' HB2' HD12 ' A' ' 135' ' ' LEU . 76.7 m-85 -65.63 -26.91 68.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.821 -0.627 . . . . 1.01 112.002 -173.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.1 -50.5 72.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 2.14 109.612 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.65 -34.41 69.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.259 -0.882 . . . . 0.67 110.445 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.47 -57.79 9.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.868 -0.605 . . . . 1.06 111.126 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.454 HG22 ' SG ' ' A' ' 128' ' ' CYS . 20.2 mt -62.31 -34.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 1.23 111.733 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -55.31 -56.16 23.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.51 110.29 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.8 m-85 -77.03 -20.48 55.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.985 -0.552 . . . . 0.36 111.158 -176.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -61.31 -55.26 33.78 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.885 -0.413 . . . . 0.89 109.885 171.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -61.17 -27.39 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.246 -0.434 . . . . 1.78 110.443 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.555 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 20.8 mmtt -67.36 -31.8 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 1.85 110.883 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.54 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.7 t -71.83 -45.63 60.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 1.41 109.285 174.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.533 HD13 ' HG3' ' A' ' 120' ' ' ARG . 2.9 mm? -55.34 -34.0 63.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.458 0.647 . . . . 1.09 109.477 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.555 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -62.22 -50.08 73.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 1.07 111.279 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -80.93 -51.36 8.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.53 111.763 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.65 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.3 97.92 3.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.318 0.58 . . . . 0.55 109.607 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.533 ' HG3' HD13 ' A' ' 116' ' ' LEU . 41.0 ttm180 -67.47 106.36 2.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.188 -0.915 . . . . 3.5 110.868 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.6 144.64 54.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.492 -0.776 . . . . 1.27 110.914 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -63.47 -24.36 70.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.553 2.836 . . . . 1.08 114.127 -169.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.16 -28.24 54.06 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.133 0.42 . . . . 2.2 112.133 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.2 t -84.44 -31.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.253 -0.979 . . . . 1.09 109.265 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.42 -47.27 84.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.405 -0.961 . . . . 1.29 108.405 172.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -50.6 -54.8 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.617 -1.174 . . . . 2.55 110.627 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -41.77 98.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.039 -0.982 . . . . 2.06 112.041 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.617 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 43.3 t -62.41 -46.77 87.07 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.0 -0.546 . . . . 1.74 110.107 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.82 -35.23 80.09 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.983 -0.553 . . . . 1.8 110.575 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.7 tp60 -64.9 -49.76 69.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 2.14 110.642 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.02 82.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.364 0.505 . . . . 1.02 112.364 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.2 pt-20 -71.89 -33.56 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.553 -0.459 . . . . 2.04 111.729 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.523 ' HB2' ' HZ2' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -77.39 -35.71 54.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.618 -0.433 . . . . 2.42 109.947 176.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.4 mt -63.01 -51.87 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 1.1 110.626 175.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 105' ' ' TYR . 48.2 tp -59.64 -36.16 75.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 1.96 110.848 -177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.53 -29.85 70.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 3.76 110.777 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.88 -13.79 46.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.253 0.549 . . . . 2.28 110.97 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -88.9 -11.36 44.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 2.0 111.829 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.102 -0.951 . . . . 2.99 110.665 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 121.399 0.619 . . . . 3.26 110.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -58.1 -22.29 50.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.678 -1.146 . . . . 1.94 113.372 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -64.87 -35.5 81.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.018 0.437 . . . . 2.71 110.835 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.44 -38.86 74.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.287 0.565 . . . . 3.21 109.901 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HB3' HD22 ' A' ' 43' ' ' LEU . 41.4 tt0 -74.85 -28.92 60.87 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.783 -0.644 . . . . 2.85 110.425 177.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.18 -37.72 86.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.115 0.484 . . . . 1.14 110.071 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.98 -42.03 99.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.841 -0.8 . . . . 2.57 108.841 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -61.59 -48.11 82.42 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.769 -0.65 . . . . 3.36 110.519 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 59.2 mm-40 -60.43 -37.13 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.54 111.193 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -64.51 -42.32 95.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 1.39 110.063 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.27 -42.11 72.55 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.028 -0.533 . . . . 2.32 111.519 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.11 -39.72 87.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.309 0.576 . . . . 1.24 110.026 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.585 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.5 -54.07 21.45 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.333 -0.849 . . . . 0.41 111.446 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.948 ' HB2' ' HH ' ' A' ' 37' ' ' TYR . 64.1 t30 -54.91 -34.66 63.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.192 0.52 . . . . 1.94 111.517 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.77 -43.37 84.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.187 0.517 . . . . 0.93 110.505 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.24 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 1.19 109.886 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.539 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.9 t80 -58.79 -45.85 88.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.973 -1.012 . . . . 1.11 109.831 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.7 mttt -69.18 -18.49 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.105 -0.952 . . . . 2.27 110.955 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 3.4 ttmp? -103.35 12.94 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 2.78 110.837 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttm 62.95 13.82 6.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.013 -0.539 . . . . 2.84 112.003 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.53 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.31 59.24 4.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.515 -0.92 . . . . 1.62 108.515 173.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 57' ' ' VAL . 88.3 m-85 -61.0 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 0.86 111.683 -171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.07 -44.55 92.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.051 0.453 . . . . 1.93 110.287 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 50.9 m -66.97 -38.09 85.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 1.15 110.787 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.86 -47.75 76.78 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.829 -0.623 . . . . 1.1 110.763 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB2' HG13 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.15 -29.25 69.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.317 0.579 . . . . 1.44 109.541 178.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -53.06 55.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.644 -0.707 . . . . 2.0 109.826 174.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 28.4 m-70 -63.69 -42.8 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.211 -0.904 . . . . 0.57 111.697 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.948 ' HH ' ' HB2' ' A' ' 22' ' ' ASN . 4.5 m-85 -62.25 -45.23 94.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.607 -0.724 . . . . 1.07 111.005 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.651 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -66.11 -32.44 73.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.51 110.592 175.017 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.449 ' HG3' ' HG3' ' A' ' 17' ' ' GLU . 24.4 tptm -62.51 -41.8 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 1.87 109.97 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.56 74.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 1.05 110.55 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -71.09 -33.2 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 2.0 110.339 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.46 -23.89 62.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 2.78 110.372 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 8.5 mp -87.12 -53.98 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.01 -0.541 . . . . 1.11 110.341 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -132.45 97.67 17.49 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 120.288 -0.565 . . . . 1.11 111.205 172.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.12 -11.64 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 123.127 2.551 . . . . 0.74 113.003 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.6 p -90.01 -11.91 40.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.12 0.486 . . . . 1.15 111.079 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.533 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 6.7 t30 -84.9 90.25 7.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.078 -0.712 . . . . 2.13 109.078 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.564 ' HE3' HG12 ' A' ' 88' ' ' ILE . 21.3 ptm -53.82 -29.16 39.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.083 -0.962 . . . . 1.05 111.804 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.533 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 20.9 m -57.41 -33.67 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 1.3 111.441 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.675 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.9 m-30 -66.19 -50.65 63.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.027 -0.731 . . . . 0.99 109.027 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.99 -43.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.835 -1.075 . . . . 1.13 111.671 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.403 HG23 ' CB ' ' A' ' 74' ' ' ALA . 60.3 p -65.06 -28.77 69.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.236 0.541 . . . . 1.04 110.946 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 7.1 m-20 -85.04 -27.65 26.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 2.0 110.779 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.675 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 10.7 mt-30 -59.35 -46.63 88.1 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.717 -1.216 . . . . 2.0 107.717 167.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.79 -42.05 75.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 113.813 -1.54 . . . . 1.09 111.397 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.92 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 1.07 111.217 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 34' ' ' LEU . 38.4 t -63.3 -46.05 96.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 109.93 -0.396 . . . . 1.11 109.93 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 59.6 m-85 -55.54 -39.5 70.67 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.299 -0.41 . . . . 0.91 110.921 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 6.8 t80 -57.34 -47.42 81.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.728 -0.471 . . . . 0.7 109.728 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -69.87 -30.65 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.635 . . . . 1.42 110.811 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 40.5 mtmt -69.22 -23.42 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.652 -0.704 . . . . 1.7 111.127 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.18 -6.86 43.22 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.1 -0.8 . . . . 0.41 111.1 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -88.22 75.99 8.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.3 0.571 . . . . 1.26 110.102 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -68.52 -37.8 80.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.9 111.36 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.33 -23.68 64.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.334 -0.394 . . . . 2.75 110.746 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 2.3 tmtm? -80.18 -36.66 34.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 1.33 110.4 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -57.73 -40.68 80.2 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.449 -0.945 . . . . 1.93 108.449 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 5.3 tmm_? -62.0 -54.86 35.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.902 -1.045 . . . . 3.88 110.044 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -52.8 -47.98 67.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.578 -0.737 . . . . 2.08 112.284 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 40.2 mt -76.41 -37.33 57.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.858 0.688 . . . . 1.05 112.858 -173.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.553 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.0 m -64.11 -46.16 85.45 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.676 -0.41 . . . . 1.1 111.828 -175.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 1.9 pt-20 -67.39 -32.68 73.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.686 -0.406 . . . . 2.09 110.787 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -62.09 -49.71 74.86 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.518 -0.549 . . . . 1.82 109.518 173.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' C ' ' HE1' ' A' ' 48' ' ' MET . . . -58.52 -40.39 82.74 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.589 -0.732 . . . . 1.05 110.579 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 71' ' ' CYS . 43.0 mt -62.27 -43.35 97.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.457 -0.338 . . . . 1.08 110.989 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.15 -39.64 87.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 2.35 109.749 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.96 -44.52 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.235 -0.893 . . . . 1.04 111.452 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.467 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.99 -44.79 65.61 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.146 -0.549 . . . . 0.27 112.171 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 79' ' ' ARG . 19.0 ttt85 -66.06 -22.62 66.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.338 0.589 . . . . 3.02 109.799 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -77.86 -52.47 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.264 -0.88 . . . . 1.96 110.5 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.8 18.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 1.86 111.472 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 55.17 46.19 24.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.52 0.676 . . . . 5.39 111.154 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.1 tp10 -91.79 166.66 12.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.103 -0.953 . . . . 1.6 111.223 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 9.4 t70 -44.97 110.88 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.11 0.964 . . . . 0.82 111.976 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.462 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 22.6 p90 -74.33 -22.89 59.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.95 111.055 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -68.91 -37.69 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.686 -0.857 . . . . 3.57 108.686 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.02 -37.91 89.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.821 -1.081 . . . . 2.13 109.908 172.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.564 HG12 ' HE3' ' A' ' 48' ' ' MET . 9.1 mt -58.39 -42.39 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.626 -0.715 . . . . 1.04 111.202 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.693 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.53 -35.33 80.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.297 -0.41 . . . . 1.07 110.818 177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -67.76 -34.7 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.431 -0.581 . . . . 1.87 109.431 176.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.95 -46.92 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.664 -0.698 . . . . 1.05 110.041 174.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -56.68 -39.71 74.27 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.141 -0.482 . . . . 0.93 110.853 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -68.96 -36.09 77.51 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.765 -0.652 . . . . 1.06 111.194 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -70.78 -33.2 70.51 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.785 -0.366 . . . . 2.02 110.665 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 91' ' ' ALA . 65.6 mt -62.5 -54.85 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.317 -0.623 . . . . 1.05 109.317 173.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.86 -35.12 89.7 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.768 -0.73 . . . . 0.23 112.111 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 5.7 t-20 -71.15 -35.86 71.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.512 0.196 . . . . 2.18 110.922 -177.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.5 p -65.47 -36.9 85.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.809 -0.441 . . . . 1.07 109.809 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 46.8 m-85 -68.19 -47.1 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.784 -0.644 . . . . 1.06 110.076 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -53.01 -41.76 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.035 -0.984 . . . . 0.54 110.293 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.5 tppt? -80.23 -14.11 58.68 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.08 -0.964 . . . . 1.31 112.036 -178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.9 pt-20 -108.8 5.1 24.3 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.869 0.366 . . . . 0.57 111.238 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 77.86 11.85 1.95 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 1.59 111.818 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 82.5 mttt -91.81 60.13 3.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.21 0.529 . . . . 2.37 110.062 173.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.539 ' HB2' HD21 ' A' ' 135' ' ' LEU . 80.4 m-85 -62.87 -33.27 74.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.703 -0.68 . . . . 1.01 112.379 -174.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.97 -41.97 88.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 2.14 109.954 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -80.81 -27.81 36.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.67 110.547 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.32 -56.94 15.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.051 -0.522 . . . . 1.06 110.26 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 mt -58.16 -36.69 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.576 -0.738 . . . . 1.23 111.486 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -51.49 -57.03 10.16 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.784 0.326 . . . . 0.51 110.901 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.7 m-85 -80.31 -20.18 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.36 111.352 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 1.006 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 4.9 m-30 -61.45 -52.26 65.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.995 -0.372 . . . . 0.89 109.995 170.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' HA ' HD22 ' A' ' 116' ' ' LEU . 18.5 t-20 -60.26 -29.75 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.243 0.544 . . . . 1.78 110.43 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.606 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 17.7 mmtt -68.84 -29.11 67.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 1.85 110.716 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.556 ' HB3' HG11 ' A' ' 124' ' ' VAL . 37.7 t -73.71 -42.54 61.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 1.41 109.222 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.47 HD21 ' SG ' ' A' ' 128' ' ' CYS . 1.4 mm? -56.99 -31.17 64.79 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 1.09 109.754 171.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -63.09 -46.73 86.03 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.92 -1.036 . . . . 1.07 111.622 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.72 -50.06 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.9 0.333 . . . . 0.53 111.9 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.693 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.1 t-160 -144.25 97.95 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.525 0.679 . . . . 0.55 110.162 -175.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -61.99 117.23 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.882 -1.053 . . . . 3.5 111.192 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.431 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.4 p -129.94 138.57 33.39 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.56 -0.745 . . . . 1.27 110.625 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 12.4 Cg_endo -54.03 -33.61 73.92 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 124.199 3.266 . . . . 1.08 112.265 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.75 -52.41 60.54 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.302 -0.408 . . . . 2.2 111.304 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.817 HG13 ' SG ' ' A' ' 128' ' ' CYS . 46.8 t -65.33 -46.9 89.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 N-CA-C 108.679 -0.86 . . . . 1.09 108.679 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.52 -45.49 66.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.534 0.521 . . . . 1.29 110.118 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -53.56 -51.46 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.566 -0.743 . . . . 2.55 110.222 172.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -62.65 -39.4 93.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.06 -0.973 . . . . 2.06 112.648 -178.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 1.006 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 24.0 m -65.66 -43.17 90.2 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 121.081 0.467 . . . . 1.74 109.978 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.608 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 21.0 mt-30 -72.21 -38.53 68.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 1.8 109.841 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.4 tp-100 -57.75 -53.95 52.36 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.604 -0.726 . . . . 2.14 110.177 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.287 -0.415 . . . . 1.02 111.043 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -71.51 -48.0 51.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.202 -0.453 . . . . 2.04 110.828 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.621 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 12.6 ptmm? -64.41 -44.97 89.58 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.876 -0.416 . . . . 2.42 109.876 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.6 mt -56.58 -44.98 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.934 0.397 . . . . 1.1 110.81 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 105' ' ' TYR . 2.1 tm? -61.11 -42.99 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 1.96 110.685 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -80.45 -15.09 57.6 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.828 -0.349 . . . . 3.76 111.111 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 43.9 mt-10 -71.72 -27.75 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.241 -0.651 . . . . 2.28 109.241 170.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.45 -57.4 3.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.291 -0.868 . . . . 2.0 110.797 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.235 -0.888 . . . . 2.99 110.9 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.539 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.186 0.517 . . . . 3.26 110.359 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.427 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 15.4 m120 -64.56 -21.46 66.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.193 -0.912 . . . . 1.94 111.982 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 54.8 mttm -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.751 0.31 . . . . 2.71 111.271 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.69 -46.02 90.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.621 . . . . 3.21 109.998 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.544 ' OE1' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.99 -32.99 74.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.223 -0.899 . . . . 2.85 110.562 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.513 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -62.94 -37.15 85.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.924 -0.58 . . . . 1.14 111.334 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -62.92 -43.36 99.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.938 -0.764 . . . . 2.57 108.938 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HD2' ' OE1' ' A' ' 13' ' ' GLN . 13.0 tmtt? -62.41 -42.76 99.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 3.36 110.443 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 50.3 mm-40 -62.87 -40.53 97.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 0.54 110.817 176.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 21.8 ttpp -60.41 -45.11 94.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.804 -0.358 . . . . 1.39 110.058 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.75 -38.74 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 2.32 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.18 -39.3 86.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.858 0.361 . . . . 1.24 110.915 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.66 -52.82 39.31 Favored Glycine 0 C--O 1.223 -0.545 0 N-CA-C 111.114 -0.794 . . . . 0.41 111.114 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 26.7 t-20 -56.76 -36.88 70.33 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.948 0.499 . . . . 1.94 112.02 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.87 -45.41 82.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.173 -0.467 . . . . 0.93 110.612 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.7 -31.76 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.535 0.683 . . . . 1.19 110.124 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.2 t80 -58.61 -34.92 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.815 -1.084 . . . . 1.11 110.484 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 98.5 mttt -79.02 -9.15 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.373 -0.83 . . . . 2.27 111.555 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -113.06 17.36 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.266 -0.425 . . . . 2.78 110.895 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HB3' ' HZ1' ' A' ' 28' ' ' LYS . 9.0 mtpm? 57.46 21.01 6.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.941 -0.572 . . . . 2.84 111.967 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -94.79 66.66 3.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.137 -1.06 . . . . 1.62 108.137 171.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 57' ' ' VAL . 83.6 m-85 -68.26 -32.09 72.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.123 -0.944 . . . . 0.86 112.262 -168.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 28.6 m-20 -67.24 -42.78 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.207 -0.664 . . . . 1.93 109.207 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.445 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.6 m -66.37 -37.76 86.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.34 -0.846 . . . . 1.15 110.687 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.18 -54.27 47.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 1.1 110.211 175.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.9 -26.17 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.306 -0.861 . . . . 1.44 110.224 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.27 -48.9 79.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 2.0 110.578 178.438 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -80.48 -31.55 37.27 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.57 110.914 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 7.2 m-85 -62.28 -43.4 98.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 1.07 110.234 175.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.7 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 t70 -66.99 -41.83 86.08 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.529 -0.76 . . . . 1.51 110.561 175.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -54.88 -47.74 73.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 1.87 110.024 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.42 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 1.05 111.21 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 63.3 tttm -73.3 -27.78 61.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.924 0.392 . . . . 2.0 110.784 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.33 -26.46 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 2.78 110.002 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.53 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -80.01 -42.94 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 1.11 110.292 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.15 91.21 13.12 Favored Pre-proline 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 1.11 110.726 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -11.04 22.26 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.863 2.375 . . . . 0.74 112.604 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -95.7 -5.5 42.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.219 0.533 . . . . 1.15 110.826 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.429 HD22 ' HB ' ' A' ' 49' ' ' THR . 6.6 t30 -90.91 94.93 9.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 2.13 109.659 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.0 ppp? -53.9 -30.59 46.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.15 -0.932 . . . . 1.05 111.603 -174.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 ' HB ' HD22 ' A' ' 47' ' ' ASN . 9.5 m -63.5 -31.21 72.3 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.977 -0.556 . . . . 1.3 111.703 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 21.7 m-30 -71.04 -33.16 70.04 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.395 0.616 . . . . 0.99 109.549 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 66.0 mt -78.13 -38.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.856 -1.065 . . . . 1.13 111.063 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.5 p -70.86 -33.15 70.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.145 0.498 . . . . 1.04 110.264 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.659 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -73.7 -32.73 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.879 -0.6 . . . . 2.0 110.083 176.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.7 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 38.7 mt-30 -54.94 -54.09 47.21 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.706 0.765 . . . . 2.0 109.572 167.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.45 -36.49 71.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.322 -1.308 . . . . 1.09 111.118 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.46 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 1.07 111.104 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG12 ' HD3' ' A' ' 61' ' ' LYS . 99.0 t -67.28 -47.08 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 116.229 -0.442 . . . . 1.11 110.573 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.1 m-85 -59.97 -38.39 82.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.91 110.286 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.3 -50.28 71.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 0.7 110.422 175.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -66.54 -36.94 83.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.3 0.572 . . . . 1.42 111.037 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.2 mtpp -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.439 -0.8 . . . . 1.7 111.559 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.25 -3.12 29.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.994 -0.622 . . . . 0.41 111.589 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -87.65 69.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.139 0.495 . . . . 1.26 110.379 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 101' ' ' LYS . 90.7 m-85 -65.76 -30.47 71.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.837 -0.62 . . . . 0.9 110.854 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -67.02 -40.42 87.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 2.75 111.187 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 58.3 tptt -71.92 -34.66 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 1.33 110.396 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.19 -46.65 88.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 1.93 109.555 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' HG2' HG21 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -59.63 -41.01 89.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.547 -0.751 . . . . 3.88 109.708 174.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.58 -59.54 5.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.086 -0.961 . . . . 2.08 111.562 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 81.5 mt -68.57 -34.53 75.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.478 0.547 . . . . 1.05 112.478 -173.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 75' ' ' ILE . 93.1 m -61.09 -49.96 75.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.877 -0.329 . . . . 1.1 111.882 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -33.16 75.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.53 -0.468 . . . . 2.09 110.621 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.614 ' NZ ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.86 -50.07 72.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.834 -0.432 . . . . 1.82 109.834 174.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.486 ' HB1' ' HB ' ' A' ' 51' ' ' ILE . . . -60.59 -43.0 97.86 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.812 -0.631 . . . . 1.05 110.565 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 71' ' ' CYS . 54.4 mt -60.99 -44.24 97.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.462 -0.335 . . . . 1.08 110.415 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.33 -48.35 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.095 -0.502 . . . . 2.35 109.756 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.614 HG22 ' NZ ' ' A' ' 73' ' ' LYS . 38.0 t -63.15 -43.92 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.305 -0.861 . . . . 1.04 111.427 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.6 -48.63 28.21 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.76 -0.654 . . . . 0.27 112.296 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -64.41 -24.98 67.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 3.02 109.341 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.19 -53.19 15.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.384 -0.825 . . . . 1.96 110.657 173.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -84.5 14.32 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.86 111.2 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 59.25 42.89 17.73 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.634 -0.712 . . . . 5.39 111.317 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.99 166.3 18.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.389 -0.823 . . . . 1.6 110.201 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.633 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 10.8 t70 -50.19 111.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 0.82 111.618 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.518 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 20.8 p90 -73.84 -21.49 60.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.062 0.458 . . . . 0.95 110.753 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.633 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 84.5 mtm180 -65.78 -42.61 90.58 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.54 -0.911 . . . . 3.57 108.54 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.329 -1.305 . . . . 2.13 110.243 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 8.8 mt -60.26 -41.12 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 1.04 111.246 174.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.631 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.5 -36.87 81.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.965 0.412 . . . . 1.07 110.331 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.7 mmmt -66.66 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.633 -0.506 . . . . 1.87 109.633 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -68.78 -44.06 74.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 1.05 110.184 175.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -59.59 -43.43 93.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.315 -0.402 . . . . 0.93 110.84 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.61 -37.67 84.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.63 -0.714 . . . . 1.06 110.351 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -71.54 -37.35 71.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 2.02 110.287 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' ALA . 62.9 mt -59.48 -54.09 39.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 120.976 0.417 . . . . 1.05 109.964 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.72 -35.99 92.04 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.64 -0.709 . . . . 0.23 111.587 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.898 ' HA ' ' HH ' ' A' ' 112' ' ' TYR . 1.7 t-20 -68.73 -31.27 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 2.18 110.423 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 m -65.92 -45.27 82.5 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.721 -0.474 . . . . 1.07 109.721 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.474 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 50.6 m-85 -61.83 -41.61 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.798 -0.637 . . . . 1.06 110.126 174.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -56.08 -44.29 78.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.916 -1.038 . . . . 0.54 110.623 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 10.7 mmpt? -66.36 -37.76 86.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 1.31 111.61 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.3 pt-20 -91.13 1.78 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.908 0.336 . . . . 0.57 111.908 -169.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 75.31 29.27 0.93 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.417 0.627 . . . . 1.59 111.168 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.9 mtpt -108.67 57.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.535 0.683 . . . . 2.37 109.424 172.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.509 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.6 m-85 -59.83 -31.64 69.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.856 -1.066 . . . . 1.01 112.473 -173.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.69 -44.55 90.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.464 0.65 . . . . 2.14 109.873 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.74 -27.61 40.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.67 110.337 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.18 -57.77 11.41 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.856 -0.611 . . . . 1.06 110.285 177.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.526 HG23 ' SG ' ' A' ' 128' ' ' CYS . 14.1 mt -61.14 -33.85 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 1.23 111.406 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.82 -56.84 17.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.51 110.559 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.553 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 84.1 m-85 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.299 -0.41 . . . . 0.36 111.096 -178.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.898 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 5.1 m-85 -59.71 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.987 -0.746 . . . . 0.89 108.987 168.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -67.36 -18.82 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 1.78 111.223 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 48.0 mmtt -70.74 -29.9 66.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.22 0.533 . . . . 1.85 109.943 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.521 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.3 t -74.82 -45.97 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.298 -0.63 . . . . 1.41 109.298 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.531 HD12 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -56.73 -28.95 61.98 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.424 0.631 . . . . 1.09 109.399 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -63.63 -50.52 69.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.061 -0.972 . . . . 1.07 111.308 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -84.06 -50.16 8.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.964 0.357 . . . . 0.53 111.964 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.631 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.4 t-160 -142.94 97.59 3.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.212 0.53 . . . . 0.55 109.626 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.531 ' HG3' HD12 ' A' ' 116' ' ' LEU . 60.3 ttt180 -65.57 105.97 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.248 -0.887 . . . . 3.5 110.945 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 6.6 p -128.34 137.48 30.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.694 0.759 . . . . 1.27 111.831 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.2 Cg_endo -49.17 -31.98 23.34 Favored 'Trans proline' 0 C--O 1.222 -0.309 0 C-N-CA 125.17 3.913 . . . . 1.08 114.124 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.98 -49.66 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.694 0.283 . . . . 2.2 111.326 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.4 t -74.08 -29.2 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.416 -0.514 . . . . 1.09 109.767 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.36 -44.6 87.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.147 -0.686 . . . . 1.29 109.147 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -57.99 -47.9 81.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.909 -1.042 . . . . 2.55 110.468 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 7.3 mptt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.023 -0.989 . . . . 2.06 111.297 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 26.0 t -61.51 -47.05 87.38 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.713 -0.676 . . . . 1.74 109.878 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.84 -39.11 87.82 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.845 -0.616 . . . . 1.8 110.671 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.482 ' O ' HG13 ' A' ' 134' ' ' ILE . 49.7 tp60 -61.65 -51.51 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 2.14 110.7 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.74 94.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.318 0.488 . . . . 1.02 112.318 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.6 pt-20 -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.674 -0.41 . . . . 2.04 111.345 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.7 ptmt -75.82 -27.64 57.99 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.574 -0.45 . . . . 2.42 109.924 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 130' ' ' GLN . 32.2 mt -66.01 -47.09 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.1 110.139 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.509 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.3 mt -60.91 -32.38 71.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 1.96 110.54 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.89 -30.35 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 3.76 110.332 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -22.28 58.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 2.28 110.951 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.37 -21.85 41.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 2.0 110.931 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 116.159 -0.473 . . . . 2.99 110.605 177.709 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.02 0.438 . . . . 3.26 109.96 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 16.2 m120 -82.92 -22.19 33.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.987 -0.551 . . . . 1.94 110.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -57.43 -49.63 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.351 . . . . 2.71 111.444 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.55 -42.46 98.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.164 0.507 . . . . 3.21 110.756 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.524 ' HB3' HD23 ' A' ' 43' ' ' LEU . 32.9 tt0 -68.02 -26.64 65.99 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.774 -0.648 . . . . 2.85 110.646 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.54 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -64.67 -36.22 83.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 1.14 110.657 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD11 ' HH ' ' A' ' 50' ' ' TYR . 3.5 mm? -61.29 -44.93 96.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.286 -0.635 . . . . 2.57 109.286 174.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -57.54 -46.89 83.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.598 -0.728 . . . . 3.36 110.893 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -65.85 -36.64 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.476 -0.329 . . . . 0.54 111.626 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.7 ttpp -65.73 -40.24 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.543 . . . . 1.39 109.633 175.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 39.6 mt-10 -64.76 -46.15 83.4 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.461 -0.336 . . . . 2.32 110.705 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 1.24 110.872 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.76 -51.32 56.66 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 111.627 -0.589 . . . . 0.41 111.627 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.2 t-20 -58.34 -37.31 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.041 0.448 . . . . 1.94 111.383 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.03 -46.71 86.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.91 -0.586 . . . . 0.93 110.613 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . . . -70.71 -31.47 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.604 0.716 . . . . 1.19 109.8 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 93.2 t80 -60.38 -37.83 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.757 -1.11 . . . . 1.11 110.683 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 67.7 mttm -72.75 -10.29 59.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.645 -0.707 . . . . 2.27 110.978 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -106.92 10.29 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.952 -0.567 . . . . 2.78 110.189 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 55.81 25.45 8.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.76 -0.654 . . . . 2.84 111.577 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 24' ' ' ALA . 4.8 t0 -86.16 65.83 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.336 -1.357 . . . . 1.62 107.336 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -58.17 -44.86 88.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.883 -1.053 . . . . 0.86 113.347 -162.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 5.8 p-10 -65.38 -38.61 90.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.331 -0.548 . . . . 1.93 110.998 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.3 m -69.84 -41.59 74.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 1.15 110.505 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . . . -57.6 -55.48 34.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.373 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.14 -31.17 70.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.878 -1.056 . . . . 1.44 110.447 -178.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 4.7 tppt? -60.98 -45.23 95.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.463 -0.79 . . . . 2.0 110.829 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.1 m-70 -80.55 -33.53 36.13 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.57 110.498 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.645 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 3.8 m-85 -58.64 -48.74 79.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 1.07 110.629 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.561 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 t70 -62.07 -41.92 98.66 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.51 110.447 175.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 43' ' ' LEU . 54.4 tptt -55.15 -44.05 74.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.151 -0.931 . . . . 1.87 110.305 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -29.04 69.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 1.05 111.23 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' HE22 ' A' ' 54' ' ' GLN . 62.4 tttm -78.0 -26.53 48.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 2.0 110.37 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -77.6 -22.12 51.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.388 0.613 . . . . 2.78 109.752 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.524 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -87.81 -49.16 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 1.11 110.376 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -137.21 96.21 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.612 . . . . 1.11 110.956 170.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.5 -10.36 22.02 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.195 2.597 . . . . 0.74 112.418 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -91.04 -0.21 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 1.15 111.389 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.517 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 7.1 t30 -99.37 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.28 -0.637 . . . . 2.13 109.28 174.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.666 ' HG2' ' CD ' ' A' ' 83' ' ' GLU . 20.6 ptm -62.14 -28.79 69.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.761 -0.654 . . . . 1.05 111.104 -172.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 ' HB ' HD22 ' A' ' 47' ' ' ASN . 59.4 m -61.81 -27.25 68.63 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.146 -0.479 . . . . 1.3 111.574 -178.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.695 ' HH ' HD11 ' A' ' 15' ' ' LEU . 23.4 m-30 -69.96 -37.34 75.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.483 0.659 . . . . 0.99 109.28 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 59.3 mt -76.25 -39.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.718 -1.128 . . . . 1.13 110.896 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.6 p -69.2 -38.41 78.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.153 0.501 . . . . 1.04 110.529 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.645 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.2 m120 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 2.0 110.533 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 72.5 mt-30 -61.66 -52.95 62.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.256 0.55 . . . . 2.0 109.751 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.91 -37.21 66.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.708 -1.133 . . . . 1.09 111.161 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' PHE . . . -52.13 -52.82 49.26 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.952 -0.567 . . . . 1.07 110.173 173.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.587 HG13 ' HD3' ' A' ' 61' ' ' LYS . 42.9 t -59.41 -33.98 52.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.06 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 66' ' ' LYS . 62.8 m-85 -66.24 -42.97 87.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.0 -0.37 . . . . 0.91 110.0 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.3 t80 -54.06 -54.16 43.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.479 -0.782 . . . . 0.7 109.561 172.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.97 -46.52 61.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.848 -1.069 . . . . 1.42 112.266 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HD3' HG13 ' A' ' 57' ' ' VAL . 3.6 mtpp -65.85 -18.99 65.72 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.221 1.008 . . . . 1.7 112.365 -176.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.6 -1.2 58.33 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.946 -0.862 . . . . 0.41 110.946 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.33 75.3 8.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.572 -0.814 . . . . 1.26 110.271 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.76 -29.27 65.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.9 111.249 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.64 -31.91 67.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.886 0.374 . . . . 2.75 110.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' NZ ' HD21 ' A' ' 70' ' ' LEU . 3.8 tmtt? -80.39 -33.79 36.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.255 -0.429 . . . . 1.33 111.147 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.12 -40.43 93.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.35 -0.981 . . . . 1.93 108.35 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG2' HG21 ' A' ' 95' ' ' ILE . 1.2 tmt_? -64.31 -48.92 73.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.356 -0.838 . . . . 3.88 110.206 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.41 -52.85 51.58 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.397 0.618 . . . . 2.08 111.04 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD21 ' NZ ' ' A' ' 66' ' ' LYS . 29.2 mt -75.8 -40.56 54.86 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.398 -0.819 . . . . 1.05 112.961 -170.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.556 ' O ' HG13 ' A' ' 75' ' ' ILE . 84.6 m -61.16 -47.0 88.23 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.541 -0.464 . . . . 1.1 111.2 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.86 -35.73 81.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.704 0.287 . . . . 2.09 111.071 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -66.38 -49.58 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.735 -0.469 . . . . 1.82 109.735 176.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' C ' ' HE1' ' A' ' 48' ' ' MET . . . -56.62 -43.99 80.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.703 -0.68 . . . . 1.05 110.27 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 71' ' ' CYS . 34.9 mt -61.78 -40.48 87.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 1.08 110.758 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.64 -33.56 75.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.139 0.495 . . . . 2.35 109.835 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 77.8 t -74.88 -42.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.558 -0.746 . . . . 1.04 111.32 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -72.94 -32.93 60.31 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.701 -0.761 . . . . 0.27 111.463 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 11.0 tpt180 -65.28 -32.58 74.32 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.69 -0.855 . . . . 3.02 108.69 174.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.0 tp10 -67.51 -54.77 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.31 -1.314 . . . . 1.96 111.602 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -99.42 9.71 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.768 -0.651 . . . . 1.86 111.358 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 60.25 48.43 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.458 -0.792 . . . . 5.39 111.141 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.666 ' CD ' ' HG2' ' A' ' 48' ' ' MET . 36.3 tt0 -84.0 168.44 15.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.826 -0.624 . . . . 1.6 110.021 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -43.82 110.12 0.19 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.423 0.689 . . . . 0.82 112.324 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.7 p90 -71.01 -20.1 62.44 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.168 0.509 . . . . 0.95 110.695 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.404 ' HB3' ' ND1' ' A' ' 119' ' ' HIS . 48.2 mtm180 -65.72 -42.49 91.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.632 -0.877 . . . . 3.57 108.632 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -61.75 -40.68 95.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.066 -1.425 . . . . 2.13 110.009 173.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.535 HG12 ' HE3' ' A' ' 48' ' ' MET . 22.4 mt -59.94 -42.44 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.538 -0.755 . . . . 1.04 111.316 175.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.42 -39.58 93.77 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.475 -0.329 . . . . 1.07 110.49 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.6 mmtp -71.14 -29.59 65.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.267 -0.573 . . . . 1.87 110.469 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -63.73 -46.54 84.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.576 -0.527 . . . . 1.05 109.576 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 22.3 m-85 -58.21 -42.6 86.57 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.93 110.813 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.34 97.82 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.601 -0.727 . . . . 1.06 110.745 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 90.1 mtt-85 -64.75 -39.18 93.2 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.068 -0.253 . . . . 2.02 110.535 177.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 91' ' ' ALA . 80.2 mt -58.95 -51.32 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 1.05 109.605 174.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.54 -39.9 97.06 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.93 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.668 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 11.2 m120 -64.54 -38.47 91.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.6 0.238 . . . . 2.18 110.534 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -59.17 -49.07 79.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.041 0.448 . . . . 1.07 110.087 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 41.8 m-85 -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.444 -0.798 . . . . 1.06 110.149 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -55.95 -43.3 77.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.301 -0.863 . . . . 0.54 110.931 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -72.02 -30.45 65.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 1.31 110.756 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.5 pt-20 -94.25 5.34 52.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.324 -0.398 . . . . 0.57 111.193 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 75.79 11.42 3.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.74 0.816 . . . . 1.59 111.252 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 23.7 tttp -89.93 55.64 3.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.895 -0.593 . . . . 2.37 110.147 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.493 ' HB2' HD13 ' A' ' 135' ' ' LEU . 65.8 m-85 -62.88 -29.74 70.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.854 0.687 . . . . 1.01 112.854 -171.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -56.27 -44.99 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.421 0.629 . . . . 2.14 110.099 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -25.34 34.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.315 -0.857 . . . . 0.67 110.562 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.451 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -61.11 -56.93 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 1.06 110.091 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.538 HG21 ' SG ' ' A' ' 128' ' ' CYS . 7.2 mt -57.81 -36.12 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 1.23 111.424 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -54.68 -58.36 7.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.871 0.367 . . . . 0.51 110.898 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.467 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 87.9 m-85 -76.54 -20.49 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 0.36 111.142 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.62 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 6.6 m-30 -61.24 -55.04 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.779 -0.452 . . . . 0.89 109.779 170.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.429 ' HA ' HD22 ' A' ' 116' ' ' LEU . 25.4 t-20 -58.25 -31.14 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 1.78 110.837 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.0 mmtt -64.92 -32.0 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 1.85 110.964 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.529 ' HB3' HG13 ' A' ' 124' ' ' VAL . 36.3 t -71.22 -42.94 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.243 -0.651 . . . . 1.41 109.243 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 113' ' ' ASN . 2.4 mm? -59.51 -25.89 64.84 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.918 -0.583 . . . . 1.09 109.579 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -71.79 -33.93 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.237 -0.892 . . . . 1.07 111.56 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -99.67 -51.31 3.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.53 111.74 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.661 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 15.5 t-160 -140.82 97.37 3.18 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.57 -0.529 . . . . 0.55 109.57 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -63.32 106.05 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.082 -0.963 . . . . 3.5 110.943 -177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 17.2 p -127.55 134.49 26.24 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.676 0.751 . . . . 1.27 111.166 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.5 -33.71 31.21 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 125.009 3.806 . . . . 1.08 114.159 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.99 -45.23 67.74 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.629 0.233 . . . . 2.2 111.629 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 115' ' ' SER . 6.5 t -71.34 -33.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.037 -0.665 . . . . 1.09 109.757 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -46.86 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.937 -0.764 . . . . 1.29 108.937 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -56.09 -48.76 75.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.957 -1.02 . . . . 2.55 110.523 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.4 mptt -62.25 -39.94 94.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 2.06 111.796 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.538 ' SG ' HG21 ' A' ' 109' ' ' ILE . 48.1 t -64.04 -47.35 80.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 1.74 109.978 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.96 -39.81 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 1.8 110.195 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 134' ' ' ILE . 8.2 tp-100 -59.03 -56.35 23.41 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.827 -0.624 . . . . 2.14 110.618 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.32 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.247 -0.433 . . . . 1.02 111.127 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 28.0 tt0 -66.99 -49.84 64.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.98 -0.554 . . . . 2.04 110.589 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.42 -37.45 80.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.691 0.282 . . . . 2.42 110.577 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 61.0 mt -59.82 -48.17 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 1.1 110.453 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 105' ' ' TYR . 56.2 tp -60.14 -37.82 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.757 -0.656 . . . . 1.96 111.008 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.639 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 92.8 mttt -59.28 -34.12 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 3.76 110.743 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.88 -28.76 55.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 2.28 110.625 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 86.6 mm-40 -76.42 -23.9 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.735 . . . . 2.0 111.304 -175.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 116.143 -0.481 . . . . 2.99 110.745 177.791 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.4 tp10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.013 0.435 . . . . 3.26 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.481 ' HA ' ' HB2' ' A' ' 13' ' ' GLN . 92.3 m-20 -67.94 -20.52 65.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.628 -0.714 . . . . 1.94 111.466 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.599 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 62.0 mttm -56.31 -54.05 50.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.887 0.375 . . . . 2.71 111.113 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.02 -36.53 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 3.21 110.073 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.481 ' HB2' ' HA ' ' A' ' 10' ' ' ASN . 16.6 mm-40 -63.42 -34.08 76.95 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 2.85 110.726 174.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -66.95 -34.6 78.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.771 -0.65 . . . . 1.14 110.437 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 71.0 mt -62.04 -43.88 97.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.512 -0.551 . . . . 2.57 109.512 172.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.28 -46.97 87.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.184 -0.917 . . . . 3.36 110.357 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -64.24 -36.91 85.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.862 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 18' ' ' LYS . 20.7 ttpp -63.91 -41.59 97.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.82 0.343 . . . . 1.39 110.101 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 50.4 mt-10 -68.19 -41.1 81.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 2.32 111.048 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.81 -40.75 97.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.228 -0.442 . . . . 1.24 110.832 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.33 -51.26 50.84 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.72 -0.752 . . . . 0.41 111.349 174.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.6 t30 -57.39 -35.84 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.981 0.42 . . . . 1.94 111.61 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.79 -43.07 84.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.203 -0.453 . . . . 0.93 110.399 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.76 -32.28 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 1.19 110.142 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.6 t80 -57.26 -41.6 79.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.922 . . . . 1.11 109.957 175.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 97.9 mttt -72.83 -19.27 61.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.278 -0.874 . . . . 2.27 111.109 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -98.84 12.57 35.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.08 -0.509 . . . . 2.78 111.156 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm 60.21 21.52 10.89 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.101 0.477 . . . . 2.84 111.607 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.401 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 2.2 t70 -99.16 63.51 1.32 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.747 -1.205 . . . . 1.62 107.747 173.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -60.76 -31.55 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.506 -1.225 . . . . 0.86 112.451 -169.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.536 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 10.0 m-20 -67.76 -44.7 76.88 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.516 -0.474 . . . . 1.93 110.656 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.1 m -66.99 -35.69 80.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.146 0.498 . . . . 1.15 110.057 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.82 -58.13 9.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 1.1 110.613 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB2' HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -63.09 -28.28 69.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.284 -0.871 . . . . 1.44 110.188 -178.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -62.54 -49.19 76.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 2.0 110.798 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.84 -36.82 62.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.936 0.398 . . . . 0.57 110.18 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 1.7 m-85 -57.26 -41.27 79.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 1.07 110.55 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.768 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 27.9 t70 -68.84 -40.39 79.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.912 -0.585 . . . . 1.51 110.396 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HE3' HD11 ' A' ' 43' ' ' LEU . 56.9 tptt -58.72 -42.12 87.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.537 -0.756 . . . . 1.87 110.377 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.68 70.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 1.05 110.872 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 61.7 tttm -75.82 -23.18 55.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.049 0.452 . . . . 2.0 110.613 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.22 -31.07 38.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.338 -0.615 . . . . 2.78 109.338 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 9.9 mp -76.09 -44.49 38.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.312 -0.858 . . . . 1.11 110.509 177.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -144.16 96.95 5.3 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.141 -0.624 . . . . 1.11 111.643 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.97 -15.74 23.34 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.215 2.61 . . . . 0.74 112.632 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -85.04 -8.51 58.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.093 -0.503 . . . . 1.15 111.021 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.525 HD22 ' HB ' ' A' ' 49' ' ' THR . 6.5 t30 -90.25 94.44 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.341 -0.614 . . . . 2.13 109.341 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HE2' ' HB2' ' A' ' 48' ' ' MET . 2.9 ppp? -53.31 -30.36 38.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.921 -1.036 . . . . 1.05 111.605 -174.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.525 ' HB ' HD22 ' A' ' 47' ' ' ASN . 7.7 m -59.15 -32.94 70.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.571 -0.74 . . . . 1.3 112.003 -174.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 20.5 m-85 -70.5 -44.63 67.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.484 0.659 . . . . 0.99 109.595 -177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 69.9 mt -63.67 -43.64 98.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.471 -1.241 . . . . 1.13 111.406 -174.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 60.7 p -66.29 -31.5 72.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.509 . . . . 1.04 110.748 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.0 m-20 -78.05 -25.73 47.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 2.0 111.291 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.768 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 20.8 mt-30 -66.53 -44.07 83.44 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 107.818 -1.178 . . . . 2.0 107.818 169.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -56.75 -40.87 76.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.812 -1.54 . . . . 1.09 110.536 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . . . -55.57 -35.87 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.264 -0.88 . . . . 1.07 111.17 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG12 ' HB2' ' A' ' 34' ' ' LEU . 21.6 t -67.71 -46.99 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 120.707 -0.397 . . . . 1.11 110.261 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 34' ' ' LEU . 52.3 m-85 -55.76 -38.48 69.9 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.91 110.602 177.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -55.95 -47.53 77.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.599 -0.728 . . . . 0.7 109.914 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -71.62 -25.73 62.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.558 -0.746 . . . . 1.42 111.086 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 36.5 mtmt -76.52 -22.14 54.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 1.7 111.397 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.06 -1.55 38.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.973 -0.632 . . . . 0.41 111.819 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.98 77.12 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.193 0.52 . . . . 1.26 110.261 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -70.11 -28.51 65.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.9 110.98 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -68.36 -41.01 81.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 2.75 111.022 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.3 tptt -70.49 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.556 -0.293 . . . . 1.33 110.467 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 35.1 t -60.54 -47.96 83.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.416 -0.587 . . . . 1.93 109.416 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -44.76 94.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.13 -0.486 . . . . 3.88 110.121 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -50.15 -56.16 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.83 . . . . 2.08 111.363 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 92.1 mt -74.71 -36.87 62.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 1.05 112.116 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.523 ' O ' HG13 ' A' ' 75' ' ' ILE . 96.7 m -62.3 -47.26 85.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.655 -0.418 . . . . 1.1 110.981 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.27 -39.23 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 2.09 110.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -63.71 -47.83 79.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 1.82 110.013 177.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.49 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.36 -43.02 96.9 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.741 -0.663 . . . . 1.05 110.646 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 71' ' ' CYS . 39.0 mt -60.85 -44.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.11 -0.496 . . . . 1.08 110.256 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.98 -46.14 88.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.956 -0.565 . . . . 2.35 109.907 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.45 -46.92 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.33 -0.85 . . . . 1.04 111.969 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.16 -39.62 57.71 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.958 -0.639 . . . . 0.27 112.122 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -67.14 -27.8 67.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.113 -0.699 . . . . 3.02 109.113 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.17 -53.22 13.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.98 -1.009 . . . . 1.96 110.237 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -91.83 26.55 2.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.617 -0.72 . . . . 1.86 111.784 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? 48.41 37.78 9.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.751 0.786 . . . . 5.39 112.757 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.09 165.96 23.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.015 -0.993 . . . . 1.6 110.542 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 25.4 t70 -50.63 109.71 0.34 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.791 -0.641 . . . . 0.82 111.486 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -68.9 -16.43 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.95 111.1 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.557 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 49.5 mtm180 -65.02 -40.2 94.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.274 -0.639 . . . . 3.57 109.274 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.436 ' HG2' ' OD2' ' A' ' 84' ' ' ASP . 23.5 mm-40 -66.17 -38.06 87.14 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.898 -0.592 . . . . 2.13 109.697 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.402 HG12 ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -58.23 -42.11 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 1.04 111.185 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.693 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.871 0.367 . . . . 1.07 110.843 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -74.1 -28.87 61.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.515 -0.55 . . . . 1.87 109.515 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.12 -45.42 81.15 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.689 -0.687 . . . . 1.05 109.564 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.473 ' HB3' ' HG ' ' A' ' 115' ' ' SER . 25.4 m-85 -59.24 -40.16 85.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.8 -0.636 . . . . 0.93 110.332 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.79 -37.08 85.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.84 -0.618 . . . . 1.06 110.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 56' ' ' ALA . 54.0 mtt180 -69.08 -44.15 73.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.328 -0.249 . . . . 2.02 110.328 175.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 91' ' ' ALA . 83.8 mt -55.97 -55.24 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.216 0.531 . . . . 1.05 109.858 176.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.35 -38.3 95.48 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.229 -0.896 . . . . 0.23 112.196 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 2.8 t-20 -71.78 -29.53 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.967 0.383 . . . . 2.18 110.463 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m -61.41 -47.23 86.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.304 -0.628 . . . . 1.07 109.304 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.523 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 49.1 m-85 -62.08 -40.3 95.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.107 -0.952 . . . . 1.06 110.194 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -58.12 -41.2 83.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 0.54 110.919 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.3 mmmt -75.96 -28.23 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 1.31 110.976 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 1.7 pt-20 -93.04 3.75 55.19 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.767 0.318 . . . . 0.57 111.015 -174.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 73.58 23.6 2.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 1.59 110.915 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 30.5 tttt -102.04 57.68 0.82 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.731 0.776 . . . . 2.37 109.395 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 68.5 m-85 -64.58 -32.87 74.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.937 -1.029 . . . . 1.01 113.298 -169.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.98 -36.29 81.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.418 0.628 . . . . 2.14 109.798 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.93 -36.62 56.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.272 -0.876 . . . . 0.67 109.829 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.99 -59.94 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.357 -0.838 . . . . 1.06 110.821 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.624 HG22 ' SG ' ' A' ' 128' ' ' CYS . 17.8 mt -61.91 -35.11 66.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.23 111.467 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -54.6 -53.4 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.51 110.31 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.49 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 87.7 m-85 -78.21 -24.46 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.36 111.185 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.417 ' HA ' ' OG ' ' A' ' 115' ' ' SER . 7.7 m-85 -61.77 -51.06 69.87 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 120.708 0.29 . . . . 0.89 110.479 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -64.09 -25.23 68.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 1.78 109.93 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' PHE . 16.7 mmtt -69.91 -31.79 69.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.751 -0.659 . . . . 1.85 110.003 171.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.544 ' CB ' HG12 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -67.84 -47.39 69.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.377 -0.972 . . . . 1.41 108.377 176.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -60.39 -28.01 67.88 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.267 -0.879 . . . . 1.09 110.32 174.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -67.45 -34.41 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 1.07 111.404 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.936 0.398 . . . . 0.53 111.413 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.693 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.66 98.22 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.495 0.664 . . . . 0.55 109.678 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.496 ' HG3' HD11 ' A' ' 116' ' ' LEU . 66.9 ttt180 -69.86 103.41 2.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.825 -1.079 . . . . 3.5 110.738 -173.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.17 146.59 62.18 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 1.27 111.363 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -66.1 -27.11 49.75 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.474 2.783 . . . . 1.08 113.66 -169.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.12 -47.35 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.564 0.221 . . . . 2.2 110.951 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.544 HG12 ' CB ' ' A' ' 115' ' ' SER . 2.7 t -72.58 -33.47 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.517 -0.473 . . . . 1.09 109.982 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.46 -46.76 87.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.926 -0.768 . . . . 1.29 108.926 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -54.35 -48.06 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.921 -1.036 . . . . 2.55 110.556 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.5 mptt -65.36 -42.45 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.497 -0.774 . . . . 2.06 112.019 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 109' ' ' ILE . 44.1 t -60.51 -48.74 80.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.833 -0.621 . . . . 1.74 109.969 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 96.7 mt-30 -66.2 -36.02 81.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 1.8 110.308 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.469 ' O ' HG13 ' A' ' 134' ' ' ILE . 23.4 tp60 -61.95 -45.86 91.81 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.991 -0.549 . . . . 2.14 110.533 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.58 83.51 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.982 0.364 . . . . 1.02 111.982 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 7.1 pt-20 -74.35 -32.38 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.619 -0.433 . . . . 2.04 111.571 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 17.4 ptpt -75.0 -31.29 61.38 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.691 -0.404 . . . . 2.42 109.97 174.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 130' ' ' GLN . 45.4 mt -65.16 -47.31 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 1.1 110.174 172.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 3.8 mt -63.47 -30.08 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.529 -0.305 . . . . 1.96 110.757 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -59.15 -37.33 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 3.76 110.09 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.52 -25.91 54.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 2.28 110.596 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 18.9 mm-40 -79.15 -27.8 42.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.072 -0.513 . . . . 2.0 111.612 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 46.9 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.573 -0.727 . . . . 2.99 110.876 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.541 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.954 0.407 . . . . 3.26 110.386 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -78.27 -22.07 48.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.968 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 43.9 mttp -56.0 -40.3 73.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.806 0.336 . . . . 2.71 111.621 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.07 -40.16 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 3.21 110.674 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' HB3' HD22 ' A' ' 43' ' ' LEU . 30.6 tt0 -64.79 -32.57 74.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.051 0.453 . . . . 2.85 110.013 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.511 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -60.87 -33.84 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.637 -0.711 . . . . 1.14 110.361 177.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 59.2 mt -63.31 -43.84 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.405 . . . . 2.57 110.127 174.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' HD23 ' A' ' 20' ' ' LEU . 87.0 tttt -62.44 -42.77 99.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 3.36 110.073 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -63.39 -36.51 83.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.54 110.751 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 24.6 ttpp -65.27 -38.29 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 1.39 109.973 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 46.6 mt-10 -70.49 -40.94 73.29 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.245 -0.434 . . . . 2.32 110.96 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 16' ' ' LYS . 2.8 mm? -64.52 -40.59 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.916 0.389 . . . . 1.24 110.489 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.78 -50.88 56.21 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 111.321 -0.711 . . . . 0.41 111.321 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 2.9 t-20 -59.07 -35.37 73.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 1.94 111.358 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.2 -49.58 73.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 0.93 110.652 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -65.89 -32.95 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.547 -0.751 . . . . 1.19 110.034 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.0 t80 -59.23 -38.34 79.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.059 -0.973 . . . . 1.11 110.525 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.2 mttt -76.05 -15.6 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.681 -0.691 . . . . 2.27 111.069 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -104.22 8.06 36.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.008 -0.542 . . . . 2.78 110.422 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.3 mttm 59.97 26.98 16.3 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.854 -0.612 . . . . 2.84 111.578 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 5.7 t0 -99.19 63.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 1.62 107.364 171.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -62.67 -28.99 70.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.814 -1.084 . . . . 0.86 112.508 -168.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 37.4 m-20 -64.83 -49.34 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 1.93 109.906 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.0 m -67.88 -35.6 78.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 1.15 110.629 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.7 -57.44 12.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 1.1 110.408 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -59.98 -26.67 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.949 -1.023 . . . . 1.44 110.123 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -71.18 -49.26 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.321 -0.854 . . . . 2.0 111.322 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.2 m-70 -70.52 -34.72 72.62 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.563 -0.455 . . . . 0.57 110.068 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 5.5 m-85 -59.83 -35.95 75.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.469 . . . . 1.07 109.803 174.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.26 -40.43 77.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.939 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' O ' HD11 ' A' ' 43' ' ' LEU . 47.2 tptt -61.58 -41.52 97.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.344 -0.844 . . . . 1.87 110.012 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.9 96.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.445 -0.343 . . . . 1.05 110.48 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.28 -30.1 70.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.632 . . . . 2.0 110.298 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.45 -38.26 65.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.48 -0.782 . . . . 2.78 110.097 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 13' ' ' GLN . 8.0 mp -71.28 -50.2 35.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 1.11 110.666 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -139.8 106.33 6.92 Favored Pre-proline 0 N--CA 1.447 -0.61 0 C-N-CA 120.071 -0.652 . . . . 1.11 112.027 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' O ' HG11 ' A' ' 77' ' ' VAL . 98.4 Cg_endo -76.86 -22.55 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.169 2.579 . . . . 0.74 113.084 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 p -77.21 -15.13 59.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.256 0.55 . . . . 1.15 111.178 -176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.529 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.6 t30 -84.07 90.66 7.49 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.878 -0.786 . . . . 2.13 108.878 172.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.519 ' HE2' HG12 ' A' ' 88' ' ' ILE . 22.8 ptm -53.91 -26.87 27.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.164 -0.926 . . . . 1.05 112.022 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.522 ' HB ' HD22 ' A' ' 47' ' ' ASN . 20.2 m -59.11 -32.15 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 1.3 111.898 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 m-85 -69.76 -32.63 71.26 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.592 0.71 . . . . 0.99 109.662 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.421 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 64.6 mt -79.27 -41.23 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 114.711 -1.131 . . . . 1.13 110.447 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.416 HG23 ' CB ' ' A' ' 74' ' ' ALA . 41.5 p -67.59 -39.37 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.217 -0.447 . . . . 1.04 110.667 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.41 -33.7 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 2.0 110.38 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 2.8 mt-30 -59.0 -49.1 79.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 2.0 109.905 171.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -59.61 -28.89 67.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.761 -1.109 . . . . 1.09 111.401 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.47 84.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 1.07 110.929 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 34' ' ' LEU . 33.8 t -67.01 -43.27 89.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 120.428 -0.509 . . . . 1.11 110.524 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 65.1 m-85 -57.64 -33.41 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.286 -0.264 . . . . 0.91 110.286 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.34 -39.16 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.344 0.592 . . . . 0.7 109.725 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.99 -31.25 61.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.448 -0.796 . . . . 1.42 110.535 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 44.7 mtmt -73.9 -23.27 59.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.498 -0.773 . . . . 1.7 111.507 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.58 15.08 48.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.927 -0.654 . . . . 0.41 111.798 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.83 59.99 0.95 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.521 0.329 . . . . 1.26 110.301 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.679 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 70.8 m-85 -58.96 -29.62 67.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.31 -0.405 . . . . 0.9 111.631 -172.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.8 m-80 -58.6 -44.06 89.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 2.75 110.555 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.9 tptt -77.41 -31.95 54.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 1.33 111.361 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.679 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 2.3 m -60.45 -42.44 96.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.164 -0.68 . . . . 1.93 109.164 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 1.1 tmt_? -62.73 -47.03 85.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 3.88 110.176 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 35.0 mm-40 -47.02 -55.91 7.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.83 0.706 . . . . 2.08 112.052 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 83.4 mt -75.61 -33.28 60.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 1.05 112.595 -171.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' O ' HG13 ' A' ' 75' ' ' ILE . 87.7 m -64.37 -51.74 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.552 -0.459 . . . . 1.1 111.853 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 2.5 pt-20 -69.53 -23.5 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 2.09 111.03 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.491 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.6 tpmt? -69.18 -48.36 62.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.293 -0.632 . . . . 1.82 109.293 172.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 51' ' ' ILE . . . -60.19 -42.59 95.36 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.254 -0.884 . . . . 1.05 110.373 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 71' ' ' CYS . 60.7 mt -61.11 -43.33 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.475 -0.33 . . . . 1.08 110.497 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.49 -48.14 80.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 2.35 109.829 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.443 HG11 ' O ' ' A' ' 45' ' ' PRO . 48.3 t -61.54 -45.1 99.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.169 -0.923 . . . . 1.04 111.701 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.475 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -70.72 -49.42 29.82 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.903 -0.59 . . . . 0.27 112.37 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.409 ' HD3' HG22 ' A' ' 75' ' ' ILE . 20.6 ptt180 -66.52 -20.01 65.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.027 0.441 . . . . 3.02 109.823 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 32.9 tt0 -70.21 -50.58 38.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.595 -0.73 . . . . 1.96 110.116 171.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -85.63 7.06 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.521 -0.763 . . . . 1.86 111.43 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 61.69 36.79 16.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.688 0.756 . . . . 5.39 110.42 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -76.5 167.54 21.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.796 -1.093 . . . . 1.6 110.739 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.578 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 8.4 t70 -44.16 110.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.159 0.912 . . . . 0.82 111.931 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.5 p90 -76.04 -20.45 57.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.154 0.502 . . . . 0.95 110.579 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 86.7 mtm180 -65.89 -42.97 89.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.551 -0.907 . . . . 3.57 108.551 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.12 -40.92 95.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.261 -1.336 . . . . 2.13 109.766 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.537 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 9.9 mt -57.34 -42.38 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.524 -0.762 . . . . 1.04 111.683 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.642 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.42 -37.74 88.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.906 0.384 . . . . 1.07 110.47 177.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.1 mmmt -68.6 -31.51 70.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.629 -0.508 . . . . 1.87 109.629 177.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.49 -45.31 84.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 1.05 110.114 173.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -59.33 -43.41 92.73 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.104 -0.498 . . . . 0.93 111.213 176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.77 94.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.716 -0.674 . . . . 1.06 110.245 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.48 -33.75 73.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.11 -0.495 . . . . 2.02 110.756 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.2 mt -62.72 -50.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.182 -0.673 . . . . 1.05 109.182 172.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.43 -39.06 94.36 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.683 -0.77 . . . . 0.23 111.771 176.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.61 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 90.9 m-20 -66.15 -40.54 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.484 0.179 . . . . 2.18 111.484 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -61.06 -41.35 96.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.89 0.376 . . . . 1.07 110.026 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 50.7 m-85 -68.04 -41.53 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 1.06 110.47 175.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.91 -43.5 73.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 0.54 110.832 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 29.9 mmmt -73.68 -27.96 61.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.31 110.944 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -93.08 3.05 56.4 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.555 -0.293 . . . . 0.57 111.31 -174.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 79.71 11.7 1.22 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.696 0.798 . . . . 1.59 111.564 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 60.7 mttm -92.26 66.42 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.624 0.726 . . . . 2.37 109.68 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.507 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.0 m-85 -67.58 -31.12 70.96 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.161 -0.927 . . . . 1.01 112.095 -175.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.24 -39.01 91.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 2.14 109.935 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.91 -35.59 50.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.67 109.935 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.7 -60.84 2.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.893 -0.594 . . . . 1.06 110.354 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.58 HG21 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -57.39 -35.79 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.606 . . . . 1.23 111.345 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -57.14 -56.88 16.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 0.51 110.612 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.455 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.2 m-85 -76.88 -20.91 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.36 111.116 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.3 m-85 -62.13 -54.2 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.608 -0.515 . . . . 0.89 109.608 170.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.416 ' HA ' HD22 ' A' ' 116' ' ' LEU . 11.5 t-20 -61.34 -29.88 70.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 1.78 110.379 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 18.3 mmtt -64.51 -32.21 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 1.85 110.759 174.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.526 ' HB3' HG12 ' A' ' 124' ' ' VAL . 47.1 t -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.631 . . . . 1.41 109.295 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.48 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.2 mm? -58.16 -30.32 66.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.388 0.613 . . . . 1.09 109.802 173.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -67.11 -33.77 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.0 -1.0 . . . . 1.07 111.655 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -98.67 -49.8 4.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.53 111.705 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.642 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -145.47 98.0 3.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.123 0.487 . . . . 0.55 109.726 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.48 ' HG3' HD12 ' A' ' 116' ' ' LEU . 75.3 ttt180 -61.06 111.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.267 -0.879 . . . . 3.5 110.272 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 p -135.45 144.21 48.47 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 1.27 111.006 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -65.99 -28.97 49.43 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.402 2.735 . . . . 1.08 113.551 -169.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.47 -39.93 77.41 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 122.997 0.186 . . . . 2.2 111.408 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.526 HG12 ' HB3' ' A' ' 115' ' ' SER . 2.6 t -77.35 -33.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.585 -0.846 . . . . 1.09 109.812 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.55 -47.48 86.0 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.682 -0.859 . . . . 1.29 108.682 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -57.51 -47.76 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.6 -1.182 . . . . 2.55 110.857 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.4 mptt -65.46 -41.16 93.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.528 -0.76 . . . . 2.06 111.795 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 109' ' ' ILE . 48.9 t -63.43 -46.98 83.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.829 -0.623 . . . . 1.74 110.113 -176.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.83 -31.95 72.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 1.8 110.231 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.17 -56.42 16.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.521 . . . . 2.14 110.327 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.87 70.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 1.02 110.893 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -66.43 -50.23 64.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.456 -0.793 . . . . 2.04 110.502 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -70.35 -31.69 69.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 2.42 110.826 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.83 -45.11 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 1.1 110.319 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 139' ' ' GLU . 1.1 mt -61.11 -36.97 81.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 1.96 110.722 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -62.59 -34.37 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.121 0.486 . . . . 3.76 110.32 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -72.85 -26.43 61.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 2.28 110.903 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -79.07 -23.13 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.77 -0.65 . . . . 2.0 111.4 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.6 mm-40 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.821 -0.609 . . . . 2.99 110.748 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 10' ' ' ASN . 10.4 tp10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.675 -0.491 . . . . 3.26 109.675 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.483 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 90.8 m-20 -52.81 -22.99 6.02 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.623 0.369 . . . . 1.94 111.611 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.609 ' HG3' ' OD2' ' A' ' 44' ' ' ASP . 2.1 mptp? -59.93 -49.23 78.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.228 -0.442 . . . . 2.71 111.566 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.2 -43.92 90.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 3.21 110.344 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.51 ' HB3' HD23 ' A' ' 43' ' ' LEU . 24.6 tt0 -64.43 -27.28 68.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.92 -0.582 . . . . 2.85 110.726 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 43' ' ' LEU . . . -62.72 -37.07 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 1.14 110.196 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 50.9 tp -64.92 -40.1 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 2.57 109.49 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -65.42 -45.27 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.552 -0.749 . . . . 3.36 110.313 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.64 -38.06 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.567 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.671 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 22.2 ttpp -63.23 -39.82 95.69 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.777 -0.369 . . . . 1.39 110.18 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 72.9 mt-10 -69.99 -39.34 75.96 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.464 -0.335 . . . . 2.32 110.839 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.25 -38.48 87.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.86 0.362 . . . . 1.24 110.592 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -66.88 -48.13 62.65 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.359 -0.697 . . . . 0.41 111.359 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.602 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 3.3 t-20 -66.58 -33.11 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.94 110.57 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.94 -49.77 76.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.607 -0.724 . . . . 0.93 110.289 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -67.59 -34.02 76.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.278 -0.874 . . . . 1.19 109.93 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.46 -43.33 97.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.034 -0.985 . . . . 1.11 110.819 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 62.5 mttm -65.81 -22.89 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 2.27 111.044 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -98.25 7.78 45.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 2.78 110.504 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt 58.66 28.54 17.33 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.381 -0.827 . . . . 2.84 112.593 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . 8.8 t0 -87.89 68.16 9.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.185 -1.413 . . . . 1.62 107.185 171.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' O ' HG11 ' A' ' 57' ' ' VAL . 28.3 m-85 -57.75 -39.0 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.033 -0.985 . . . . 0.86 113.359 -163.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.589 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -66.38 -47.88 71.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.317 -0.553 . . . . 1.93 110.256 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.3 m -62.51 -40.01 95.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 1.15 110.618 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.77 41.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.905 -0.589 . . . . 1.1 110.328 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.0 -26.5 67.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.262 -0.881 . . . . 1.44 110.381 -179.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.2 tppt? -68.83 -50.59 48.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.79 . . . . 2.0 110.906 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.4 m-70 -73.74 -31.14 63.21 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.678 -0.409 . . . . 0.57 109.996 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.602 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.2 m-85 -60.85 -42.74 98.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.07 109.575 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.776 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 17.0 t70 -65.71 -43.06 90.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.335 -0.848 . . . . 1.51 110.059 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' HE2' HD12 ' A' ' 43' ' ' LEU . 22.3 tptm -60.6 -41.69 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.408 -0.814 . . . . 1.87 110.154 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.61 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.609 -0.269 . . . . 1.05 110.594 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -71.05 -31.8 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.334 0.588 . . . . 2.0 110.238 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.0 -37.31 81.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.682 . . . . 2.78 109.506 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.522 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 9.5 mp -76.84 -39.28 51.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.901 . . . . 1.11 110.918 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.609 ' OD2' ' HG3' ' A' ' 11' ' ' LYS . 5.3 t70 -142.68 92.31 7.18 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.728 -0.389 . . . . 1.11 111.307 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.41 -12.65 22.85 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.01 2.474 . . . . 0.74 112.686 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 p -89.95 -16.8 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.151 0.5 . . . . 1.15 111.101 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.523 HD22 ' HB ' ' A' ' 49' ' ' THR . 6.9 t30 -80.39 94.73 6.22 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.154 -0.684 . . . . 2.13 109.154 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE2' HG12 ' A' ' 88' ' ' ILE . 22.1 ptm -54.77 -27.59 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.297 -0.865 . . . . 1.05 112.066 -173.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.523 ' HB ' HD22 ' A' ' 47' ' ' ASN . 9.6 m -62.16 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.419 -0.355 . . . . 1.3 111.605 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.755 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.6 m-85 -81.14 -16.76 52.05 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 121.867 0.842 . . . . 0.99 110.03 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.431 ' HB ' ' CB ' ' A' ' 74' ' ' ALA . 60.8 mt -87.38 -36.98 10.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-O 121.39 0.614 . . . . 1.13 109.618 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.435 HG21 ' CB ' ' A' ' 74' ' ' ALA . 46.1 p -73.0 -31.15 64.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.642 -0.708 . . . . 1.04 111.111 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.755 ' ND2' ' HA ' ' A' ' 50' ' ' TYR . 31.4 p30 -70.29 -35.85 73.98 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.838 -0.43 . . . . 2.0 109.838 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.776 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 63.4 mt-30 -58.82 -50.33 74.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.227 0.537 . . . . 2.0 110.405 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -56.7 -34.28 67.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.972 -1.013 . . . . 1.09 111.286 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.06 80.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.814 -0.63 . . . . 1.07 111.402 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 34' ' ' LEU . 40.9 t -72.34 -34.05 47.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 120.716 -0.393 . . . . 1.11 110.747 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . 72.5 m-85 -64.48 -38.15 90.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.165 0.507 . . . . 0.91 109.716 175.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -57.61 -49.7 75.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.276 -0.875 . . . . 0.7 110.169 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -67.37 -33.95 76.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 1.42 111.406 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HZ1' ' HG ' ' A' ' 34' ' ' LEU . 6.1 mtmm -64.45 -32.32 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 1.7 111.254 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.87 -5.44 30.77 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.248 -0.741 . . . . 0.41 111.248 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.66 68.36 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 1.26 110.34 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.43 -30.02 71.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.884 -0.598 . . . . 0.9 110.263 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.12 -34.87 72.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.643 -0.708 . . . . 2.75 111.499 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' CD ' ' HG ' ' A' ' 70' ' ' LEU . 1.4 tmtm? -86.32 -30.46 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.513 -0.312 . . . . 1.33 110.244 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 25.4 t -58.87 -47.4 85.03 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.952 -0.388 . . . . 1.93 109.952 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 3.88 110.691 177.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 8.1 tp10 -65.44 -55.16 19.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.37 0.605 . . . . 2.08 110.28 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 46.4 mt -72.35 -35.95 68.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.571 -0.74 . . . . 1.05 112.515 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.487 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -62.73 -46.53 87.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.645 -0.422 . . . . 1.1 111.667 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HG2' HD13 ' A' ' 95' ' ' ILE . 1.7 mm-40 -61.84 -34.42 75.93 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.937 0.399 . . . . 2.09 110.396 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -64.24 -51.32 64.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.587 . . . . 1.82 110.189 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' CB ' HG21 ' A' ' 52' ' ' THR . . . -57.19 -42.66 81.65 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.884 -0.598 . . . . 1.05 110.409 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 71' ' ' CYS . 33.3 mt -62.87 -42.97 98.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.09 -0.504 . . . . 1.08 110.934 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.36 -47.85 83.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 2.35 109.789 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.96 -48.8 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.882 -1.053 . . . . 1.04 111.586 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.38 -38.62 87.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.987 -0.625 . . . . 0.27 112.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -69.15 -25.6 64.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.439 -0.578 . . . . 3.02 109.439 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.49 -53.35 9.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.85 . . . . 1.96 110.509 174.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.72 -0.41 30.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.308 -0.86 . . . . 1.86 111.902 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 64.5 49.82 2.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 5.39 110.397 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.0 tp10 -90.65 167.56 12.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.888 -1.051 . . . . 1.6 110.148 -178.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -44.58 107.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.716 0.806 . . . . 0.82 112.038 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.9 p90 -71.85 -20.71 61.77 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.331 0.586 . . . . 0.95 110.257 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -66.24 -41.05 90.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.686 -0.688 . . . . 3.57 109.294 176.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -63.57 -37.42 87.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.723 -1.126 . . . . 2.13 110.039 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.532 HG12 ' HE2' ' A' ' 48' ' ' MET . 11.8 mt -59.82 -43.44 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.782 -0.645 . . . . 1.04 111.282 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.17 -39.87 94.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.382 -0.372 . . . . 1.07 110.314 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -65.18 -32.46 74.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.006 0.431 . . . . 1.87 109.863 177.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.64 -44.06 82.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 1.05 110.0 173.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.4 m-85 -60.5 -43.07 97.42 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.29 -0.413 . . . . 0.93 110.96 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.55 -30.65 71.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 1.06 110.646 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.418 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 36.2 ttm180 -78.09 -34.55 50.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 2.02 110.17 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.1 mt -62.57 -50.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.456 0.646 . . . . 1.05 109.352 171.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.51 -31.34 79.35 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.543 -0.837 . . . . 0.23 111.451 176.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.1 t30 -71.96 -39.07 69.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.526 0.203 . . . . 2.18 110.873 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 p -63.34 -41.11 98.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 1.07 110.459 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 52.3 m-85 -67.35 -38.44 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 1.06 110.271 174.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.17 -29.05 68.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.385 -0.825 . . . . 0.54 110.855 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -84.05 -35.28 23.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.346 -0.388 . . . . 1.31 111.035 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 5.1 pt-20 -88.17 1.93 53.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.356 . . . . 0.57 111.132 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' HA ' ' CE2' ' A' ' 105' ' ' TYR . 37.5 mt-10 75.99 19.16 1.91 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.478 -0.783 . . . . 1.59 111.868 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.3 mttp -93.16 61.31 3.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.271 0.557 . . . . 2.37 109.658 171.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 103' ' ' GLU . 94.8 m-85 -67.22 -24.98 65.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 1.01 111.509 -175.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.453 ' HE2' HD22 ' A' ' 135' ' ' LEU . 71.3 mmtt -57.64 -49.81 75.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.374 0.606 . . . . 2.14 109.395 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.79 -32.08 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.897 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.01 -56.56 20.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 1.06 110.36 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.581 HG22 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -61.27 -33.11 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 1.23 111.214 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -56.99 -57.33 12.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 0.51 110.083 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.482 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 90.8 m-85 -75.8 -20.43 58.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.739 -0.664 . . . . 0.36 111.125 -177.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 7.6 m-30 -62.76 -54.15 43.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.832 -0.347 . . . . 0.89 110.094 171.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.55 -26.86 67.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 1.78 110.531 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.581 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 19.9 mmtt -67.97 -34.26 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.85 110.578 173.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.552 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.4 t -72.11 -41.97 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.455 -0.572 . . . . 1.41 109.455 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.69 -34.94 67.9 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.265 -0.643 . . . . 1.09 109.265 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -61.72 -52.52 63.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.874 -1.057 . . . . 1.07 111.525 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.27 -49.46 10.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.897 0.332 . . . . 0.53 111.897 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.686 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 7.1 t-160 -147.3 97.37 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.2 0.524 . . . . 0.55 110.113 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -63.4 118.39 8.01 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.37 -0.832 . . . . 3.5 110.864 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -139.71 137.64 18.86 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.811 0.815 . . . . 1.27 111.291 -178.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 6.9 Cg_endo -46.07 -40.16 20.69 Favored 'Trans proline' 0 C--N 1.342 0.237 1 C-N-CA 125.56 4.174 . . . . 1.08 114.623 -177.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -69.0 -39.39 79.38 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 121.263 -0.175 . . . . 2.2 111.467 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 115' ' ' SER . 14.8 t -72.53 -35.99 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.183 -0.607 . . . . 1.09 109.856 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.07 -48.93 79.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.767 -0.827 . . . . 1.29 108.767 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -53.75 -50.18 66.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.741 -1.118 . . . . 2.55 110.757 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.53 -41.43 98.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.243 -0.89 . . . . 2.06 111.945 -178.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.581 ' SG ' HG22 ' A' ' 109' ' ' ILE . 41.3 t -66.17 -45.35 81.19 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.055 -0.52 . . . . 1.74 110.08 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.34 -34.18 76.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.178 -0.464 . . . . 1.8 110.182 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -65.15 -52.51 54.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 2.14 110.402 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.03 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.867 -0.606 . . . . 1.02 112.253 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.7 pt-20 -69.8 -45.53 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.314 -0.554 . . . . 2.04 111.317 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 16.7 ptmt -65.33 -38.33 89.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.425 -0.51 . . . . 2.42 110.149 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.597 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 40.2 mt -57.9 -52.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.664 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.579 ' HA ' ' OE1' ' A' ' 138' ' ' GLN . 29.6 tp -65.82 -35.68 81.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 1.96 111.108 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 61.3 mtpt -66.21 -28.66 68.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.674 0.273 . . . . 3.76 110.748 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 42.2 mt-10 -73.32 -21.99 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 2.28 110.212 173.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 52.2 mt-30 -86.21 -41.14 14.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 2.0 111.678 -174.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 119.239 -0.41 . . . . 2.99 111.09 178.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.547 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.308 0.575 . . . . 3.26 110.379 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.459 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 5.2 m-20 -73.33 -20.15 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.714 . . . . 1.94 112.413 -174.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mttt -53.77 -49.28 68.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.938 0.348 . . . . 2.71 111.938 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 35.9 mtmm -75.62 -29.76 59.32 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.655 -0.418 . . . . 3.21 110.722 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.551 ' HB3' HD22 ' A' ' 43' ' ' LEU . 28.2 tt0 -61.82 -33.99 75.13 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.297 0.57 . . . . 2.85 109.594 173.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 43' ' ' LEU . . . -62.62 -35.28 79.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.207 -0.906 . . . . 1.14 110.554 176.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 27.9 mt -60.02 -38.13 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 2.57 110.543 174.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -70.76 -41.27 71.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 3.36 110.186 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -65.1 -32.14 73.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.608 -0.269 . . . . 0.54 110.633 176.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 25.6 ttpp -66.39 -39.87 89.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 1.39 109.718 174.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.95 -45.83 84.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.098 -0.501 . . . . 2.32 110.733 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.16 -45.53 92.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 1.24 110.631 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -60.53 -53.19 47.5 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 111.606 -0.598 . . . . 0.41 111.606 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.3 t30 -59.22 -33.36 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.879 0.371 . . . . 1.94 111.576 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.32 -50.24 60.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.356 . . . . 0.93 110.162 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.14 77.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.471 0.653 . . . . 1.19 109.826 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.1 t80 -55.91 -38.7 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.701 -1.136 . . . . 1.11 110.587 175.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 66.5 mttm -75.17 -20.31 59.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.73 -0.668 . . . . 2.27 111.422 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -93.8 9.48 37.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.649 -0.251 . . . . 2.78 110.9 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 63.19 19.65 11.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.19 0.519 . . . . 2.84 111.444 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.65 63.16 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.109 -1.071 . . . . 1.62 108.109 171.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' O ' HG13 ' A' ' 57' ' ' VAL . 74.0 m-85 -63.64 -35.98 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.518 -0.765 . . . . 0.86 112.783 -168.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -63.35 -46.34 87.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.951 -0.699 . . . . 1.93 109.607 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.4 m -64.27 -35.75 81.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.552 -0.749 . . . . 1.15 110.924 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -55.65 30.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.107 0.479 . . . . 1.1 109.883 174.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 ' HB2' HG13 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -57.03 -30.62 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.812 -1.085 . . . . 1.44 110.102 178.394 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 1.3 tppt? -63.07 -52.2 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.603 -0.726 . . . . 2.0 111.322 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.409 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -74.75 -33.68 62.37 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.764 0.316 . . . . 0.57 110.702 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 6.1 m-85 -60.68 -43.4 97.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.161 -0.472 . . . . 1.07 110.398 176.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.14 -38.91 86.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 1.51 109.977 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -57.23 -46.17 83.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.368 -0.833 . . . . 1.87 110.109 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.92 69.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 1.05 111.0 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -71.09 -32.35 68.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 2.0 110.902 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.16 -26.43 59.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.155 0.502 . . . . 2.78 109.851 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -78.0 -38.84 44.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.694 -0.684 . . . . 1.11 110.269 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 53.7 t0 -134.76 95.14 15.91 Favored Pre-proline 0 C--O 1.214 -0.792 0 CA-C-N 116.004 -0.543 . . . . 1.11 109.903 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.7 -20.03 35.63 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.903 2.402 . . . . 0.74 113.178 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -89.91 34.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.932 0.873 . . . . 1.15 110.474 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.785 ' ND2' ' HB2' ' A' ' 50' ' ' TYR . 5.5 p-10 -97.19 120.28 37.26 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.213 -1.358 . . . . 2.13 111.87 -172.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.582 ' SD ' ' HG3' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -80.94 -44.21 18.57 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.752 -0.833 . . . . 1.05 108.752 164.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 m -65.85 -44.13 86.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.507 -0.77 . . . . 1.3 112.426 -171.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.785 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 16.3 m-85 -67.67 -18.97 65.12 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.451 -0.499 . . . . 0.99 110.634 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.752 HG13 ' ND2' ' A' ' 47' ' ' ASN . 63.1 mt -84.86 -44.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.857 0.36 . . . . 1.13 110.52 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 p -65.66 -36.57 84.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 1.04 111.031 -178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.493 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 25.6 m-80 -70.57 -31.91 69.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 2.0 110.517 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 39.9 mt-30 -63.02 -46.98 85.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 2.0 109.888 170.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 70' ' ' LEU . . . -56.58 -41.7 77.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.072 -0.967 . . . . 1.09 110.816 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.37 70.3 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.614 -0.721 . . . . 1.07 110.811 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 30' ' ' PHE . 57.7 t -65.02 -49.28 80.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 116.334 -0.393 . . . . 1.11 110.25 177.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 66.8 m-85 -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.256 0.347 . . . . 0.91 110.632 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -58.28 -46.29 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.7 110.048 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.02 -28.02 63.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.828 -0.624 . . . . 1.42 110.826 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 13.1 mtmt -71.4 -22.57 61.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.464 -0.789 . . . . 1.7 110.708 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.81 -2.03 48.58 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.584 -0.607 . . . . 0.41 111.584 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.63 80.25 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 1.26 109.617 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -70.68 -28.95 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.9 110.845 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -67.99 -36.34 79.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 2.75 110.982 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.7 tptt -76.18 -35.03 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.808 -0.357 . . . . 1.33 110.837 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.84 -49.82 75.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.93 110.414 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -66.72 -29.56 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 3.88 109.863 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -63.09 -56.8 13.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.326 -0.852 . . . . 2.08 110.785 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB3' ' CG2' ' A' ' 51' ' ' ILE . 39.9 mt -68.88 -40.04 79.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 1.05 112.121 -174.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.594 ' O ' HG13 ' A' ' 75' ' ' ILE . 99.2 m -56.83 -48.2 78.57 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.787 -0.365 . . . . 1.1 111.669 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -37.5 87.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.88 0.372 . . . . 2.09 110.811 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.644 ' NZ ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -47.57 83.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 1.82 110.306 175.364 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' A' ' 51' ' ' ILE . . . -59.89 -44.75 94.05 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.873 -0.603 . . . . 1.05 109.954 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 71' ' ' CYS . 53.1 mt -57.85 -44.17 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.957 -0.565 . . . . 1.08 110.435 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.33 -41.69 94.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.1 -0.5 . . . . 2.35 110.368 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.644 HG23 ' NZ ' ' A' ' 73' ' ' LYS . 39.2 t -68.99 -44.52 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.445 -0.798 . . . . 1.04 111.256 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.29 -39.82 61.58 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.133 -0.556 . . . . 0.27 112.024 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -67.19 -25.82 66.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.462 0.649 . . . . 3.02 109.287 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.7 tt0 -65.14 -54.6 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.952 -1.022 . . . . 1.96 110.987 173.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -95.36 9.13 41.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.026 -0.988 . . . . 1.86 111.241 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 60.69 44.54 11.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 5.39 111.126 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.86 167.61 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.067 -0.97 . . . . 1.6 109.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 30.4 t70 -46.31 110.6 0.29 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.647 0.592 . . . . 0.82 112.168 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.524 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.3 p90 -71.12 -20.18 62.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.134 0.492 . . . . 0.95 110.466 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 79.7 mtm180 -65.64 -38.84 90.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.855 -0.794 . . . . 3.57 108.855 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 9.1 tp-100 -67.09 -39.02 86.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.037 -1.438 . . . . 2.13 110.118 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.524 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.1 mt -59.85 -39.82 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.743 -0.662 . . . . 1.04 111.265 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.648 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.57 -34.28 77.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.894 0.378 . . . . 1.07 110.568 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.1 mmmt -66.65 -35.12 79.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.41 -0.589 . . . . 1.87 109.41 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.95 -50.42 70.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.4 -0.818 . . . . 1.05 110.223 174.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -55.95 -44.37 78.36 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.93 111.568 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.3 -38.52 91.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.914 -0.585 . . . . 1.06 110.864 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -73.31 -34.94 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.162 -0.215 . . . . 2.02 110.771 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 91' ' ' ALA . 84.6 mt -58.77 -54.68 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.365 -0.606 . . . . 1.05 109.365 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.09 -37.88 95.2 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.367 -0.833 . . . . 0.23 112.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.857 ' HA ' ' HH ' ' A' ' 112' ' ' TYR . 1.3 t-20 -69.41 -28.28 66.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.657 0.265 . . . . 2.18 110.738 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -67.0 -49.6 64.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.502 -0.555 . . . . 1.07 109.502 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 56.7 m-85 -56.08 -41.65 75.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.584 -0.735 . . . . 1.06 109.89 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 66.6 t80 -55.71 -42.88 75.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.169 -0.923 . . . . 0.54 111.184 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.6 mmmt -78.06 -25.5 47.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 1.31 111.154 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -93.48 4.84 53.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.232 -0.44 . . . . 0.57 110.692 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 77.75 11.99 1.98 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.897 0.879 . . . . 1.59 111.092 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 13.7 tttp -93.92 57.66 2.48 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.639 -0.71 . . . . 2.37 109.956 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.553 ' HB2' HD22 ' A' ' 135' ' ' LEU . 84.6 m-85 -64.51 -31.88 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.029 0.751 . . . . 1.01 113.029 -171.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.3 -39.63 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.253 0.549 . . . . 2.14 109.626 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.462 ' HB2' ' HG2' ' A' ' 104' ' ' LYS . 2.3 m-20 -77.28 -31.97 55.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.24 -0.891 . . . . 0.67 110.499 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.04 -57.31 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 1.06 110.172 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.458 HG22 ' SG ' ' A' ' 128' ' ' CYS . 7.9 mt -58.41 -35.9 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 1.23 111.489 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -52.92 -59.63 4.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.928 0.394 . . . . 0.51 110.455 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.42 -20.62 54.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.36 111.228 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.857 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 6.1 m-30 -60.24 -56.5 20.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.872 -0.418 . . . . 0.89 109.872 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.71 -24.5 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.216 0.531 . . . . 1.78 110.824 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 10.5 mmtm -71.67 -31.73 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.626 -0.716 . . . . 1.85 111.013 175.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.561 ' HB3' HG13 ' A' ' 124' ' ' VAL . 44.2 t -71.67 -41.41 68.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.83 -0.804 . . . . 1.41 108.83 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.485 HD11 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -60.04 -21.82 61.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.618 -0.719 . . . . 1.09 109.926 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -78.35 -34.57 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.44 -0.8 . . . . 1.07 111.451 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -97.48 -50.65 4.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.84 0.311 . . . . 0.53 111.84 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.648 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -143.27 97.93 3.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.493 0.663 . . . . 0.55 109.702 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.485 ' HG3' HD11 ' A' ' 116' ' ' LEU . 4.9 ttm180 -66.11 106.83 1.73 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.857 -1.065 . . . . 3.5 110.912 -175.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 p -125.67 144.84 49.47 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.433 -0.803 . . . . 1.27 110.832 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -64.71 -25.69 61.15 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.443 2.762 . . . . 1.08 113.105 -172.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.14 -46.98 75.57 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.53 -0.305 . . . . 2.2 110.94 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 115' ' ' SER . 2.8 t -73.88 -29.72 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.354 -0.538 . . . . 1.09 110.191 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.39 -49.35 71.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.843 -0.799 . . . . 1.29 108.843 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -54.37 -48.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.062 -0.972 . . . . 2.55 110.515 173.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -41.49 96.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.228 -0.897 . . . . 2.06 111.977 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.458 ' SG ' HG22 ' A' ' 109' ' ' ILE . 50.3 t -64.66 -44.5 90.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.515 . . . . 1.74 110.085 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.568 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 97.5 mt-30 -63.32 -42.2 98.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.126 -0.488 . . . . 1.8 109.964 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -59.42 -55.36 35.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 2.14 110.828 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.38 -31.56 72.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.595 -0.275 . . . . 1.02 111.416 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.5 -48.23 64.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.408 -0.36 . . . . 2.04 110.647 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 15.9 ptpt -70.65 -35.91 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 2.42 110.61 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.5 mt -61.94 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 1.1 110.49 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 105' ' ' TYR . 2.4 tm? -58.28 -38.16 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 1.96 110.046 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.45 ' HA ' ' OE2' ' A' ' 139' ' ' GLU . 18.4 ttmm -70.37 -30.06 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 3.76 110.912 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 69.7 mt-10 -71.88 -26.99 62.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 2.28 109.852 174.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -85.85 -7.59 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 2.0 111.375 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 45.4 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.515 -0.755 . . . . 2.99 110.032 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.534 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 18.4 tt0 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.893 -0.41 . . . . 3.26 109.893 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.534 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 78.9 m-20 -74.92 -27.39 60.19 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 122.204 -0.31 . . . . 1.94 111.63 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HG2' ' OD2' ' A' ' 44' ' ' ASP . 97.5 mttt -58.73 -43.83 90.29 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.062 0.458 . . . . 2.71 110.728 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 -47.1 76.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.907 -0.588 . . . . 3.21 110.482 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' HB3' HD23 ' A' ' 43' ' ' LEU . 27.0 tt0 -64.3 -28.36 69.66 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.669 -0.696 . . . . 2.85 110.695 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -62.87 -37.57 87.42 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.875 0.369 . . . . 1.14 110.564 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 3.3 tm? -62.6 -43.14 99.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.778 -0.823 . . . . 2.57 108.778 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' HD23 ' A' ' 20' ' ' LEU . 54.3 tttp -60.57 -46.95 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.74 . . . . 3.36 110.221 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 63.2 mm-40 -60.55 -38.13 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.361 . . . . 0.54 111.612 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.33 -39.03 85.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.547 -0.461 . . . . 1.39 110.415 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 21.4 mm-40 -65.97 -45.73 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 2.32 110.268 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.2 mm? -59.0 -41.16 87.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.513 . . . . 1.24 110.489 175.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -63.79 -53.25 39.18 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.41 112.09 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.537 ' CA ' ' HH ' ' A' ' 37' ' ' TYR . 65.4 t30 -64.41 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.178 0.513 . . . . 1.94 110.461 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.13 -50.46 71.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.763 -0.653 . . . . 0.93 110.384 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.55 94.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 1.19 110.097 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.7 t80 -53.62 -41.01 66.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.888 -1.051 . . . . 1.11 110.702 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 65.6 mttm -73.6 -15.97 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.27 111.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -106.6 14.87 26.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.549 -0.296 . . . . 2.78 111.056 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 62.66 16.46 8.91 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 2.84 111.612 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 2.0 m-20 -86.2 58.41 5.04 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.666 -0.864 . . . . 1.62 108.666 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' O ' HG11 ' A' ' 57' ' ' VAL . 79.4 m-85 -60.74 -39.66 89.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.86 112.434 -170.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 m-20 -62.39 -47.08 85.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.112 0.482 . . . . 1.93 110.227 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 86.1 m -65.87 -38.34 88.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.534 -0.757 . . . . 1.15 110.829 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.86 -54.29 48.77 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.383 0.611 . . . . 1.1 110.172 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -59.59 -28.82 67.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.572 -1.195 . . . . 1.44 110.225 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -71.72 -45.38 61.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 2.0 111.189 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.7 m-70 -74.02 -32.48 63.37 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.675 -0.41 . . . . 0.57 109.922 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HH ' ' CA ' ' A' ' 22' ' ' ASN . 6.6 m-30 -61.37 -41.8 97.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.94 -0.573 . . . . 1.07 109.679 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.684 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 38.7 t70 -64.63 -41.61 96.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 1.51 110.208 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' HG3' ' A' ' 17' ' ' GLU . 21.4 tptm -63.02 -44.98 94.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.092 -0.958 . . . . 1.87 110.244 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.38 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 1.05 110.699 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HD2' HG12 ' A' ' 51' ' ' ILE . 60.1 tttm -69.55 -34.61 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 2.0 110.563 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -71.4 -32.0 67.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 2.78 109.681 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -78.12 -47.11 18.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 1.11 110.947 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 13.5 t70 -139.0 95.52 9.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 1.11 111.166 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.92 -5.28 15.78 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 123.337 2.691 . . . . 0.74 112.759 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -94.14 -7.43 42.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.314 0.578 . . . . 1.15 110.715 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.539 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 6.8 t30 -91.74 92.65 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.383 -0.826 . . . . 2.13 109.257 175.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.605 ' SD ' HG13 ' A' ' 88' ' ' ILE . 18.9 ptm -55.09 -28.26 51.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.537 -0.756 . . . . 1.05 111.745 -174.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.539 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 9.6 m -56.21 -40.02 73.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.136 -0.483 . . . . 1.3 111.358 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 14' ' ' ALA . 19.1 m-85 -65.0 -36.49 84.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.636 0.731 . . . . 0.99 109.914 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.439 HG12 ' HD2' ' A' ' 41' ' ' LYS . 68.4 mt -74.79 -41.48 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 114.839 -1.073 . . . . 1.13 110.786 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.7 p -65.8 -29.63 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.04 110.321 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -68.89 -41.95 77.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.727 -0.67 . . . . 2.0 109.717 174.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.684 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 70.4 mt-30 -54.59 -52.07 63.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.506 0.67 . . . . 2.0 110.334 173.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.83 -36.99 70.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.716 -1.129 . . . . 1.09 111.273 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.56 81.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.07 111.272 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG11 ' HB2' ' A' ' 34' ' ' LEU . 24.5 t -68.05 -45.0 84.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 C-N-CA 120.791 -0.364 . . . . 1.11 110.361 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 67.2 m-85 -57.08 -35.28 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.91 110.461 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 35.3 t80 -59.85 -40.47 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.7 109.725 174.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.35 -21.38 49.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 1.42 110.802 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.8 mtmt -83.95 -16.75 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.85 -0.614 . . . . 1.7 111.108 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.24 -3.68 56.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.41 111.728 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.06 75.71 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.965 0.412 . . . . 1.26 110.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -68.04 -34.95 77.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.144 -0.48 . . . . 0.9 110.263 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -59.77 -42.86 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 2.75 110.922 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 57.4 tptt -73.3 -32.27 64.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.573 -0.285 . . . . 1.33 110.902 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.85 -45.63 91.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.272 -0.64 . . . . 1.93 109.272 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HG2' HG22 ' A' ' 95' ' ' ILE . 3.0 tmm_? -61.14 -48.42 81.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 3.88 109.357 173.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -50.6 -53.96 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.762 -1.108 . . . . 2.08 111.65 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 64.4 mt -75.51 -33.72 60.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.809 0.67 . . . . 1.05 112.809 -173.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.571 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.9 m -62.93 -47.48 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.413 -0.515 . . . . 1.1 111.086 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' HG3' HD11 ' A' ' 95' ' ' ILE . 3.4 mt-10 -65.18 -29.44 70.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 2.09 110.875 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -68.84 -48.11 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 1.82 109.55 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' C ' ' HE2' ' A' ' 48' ' ' MET . . . -61.38 -40.12 93.15 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.474 -0.785 . . . . 1.05 110.391 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 71' ' ' CYS . 36.8 mt -63.23 -42.58 96.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.537 -0.301 . . . . 1.08 110.557 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.1 -48.24 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.621 -0.511 . . . . 2.35 109.621 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.44 -46.88 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.231 -0.895 . . . . 1.04 111.645 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.43 52.12 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.705 -0.68 . . . . 0.27 112.208 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -64.77 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.189 0.518 . . . . 3.02 109.631 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.16 -51.71 62.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.202 -0.908 . . . . 1.96 110.724 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.55 11.59 12.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.396 -0.82 . . . . 1.86 111.471 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 56.89 42.94 25.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.609 0.719 . . . . 5.39 110.423 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.8 tp10 -83.37 166.1 18.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 1.6 110.688 -175.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 35.0 t70 -50.2 106.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.445 -0.798 . . . . 0.82 111.682 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -65.61 -18.41 65.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.067 0.461 . . . . 0.95 110.777 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.54 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.7 mtm180 -63.25 -37.44 87.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.653 -0.499 . . . . 3.57 109.653 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.471 ' NE2' HG22 ' A' ' 49' ' ' THR . 12.4 mm100 -65.99 -42.44 89.79 Favored 'General case' 0 CA--C 1.522 -0.128 0 O-C-N 123.546 0.528 . . . . 2.13 110.382 171.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.605 HG13 ' SD ' ' A' ' 48' ' ' MET . 18.2 mt -54.91 -42.31 62.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.693 -0.685 . . . . 1.04 111.391 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.697 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.59 -40.49 97.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.19 -0.459 . . . . 1.07 110.762 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 25.5 mmmt -68.78 -30.34 68.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.368 -0.605 . . . . 1.87 109.368 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.56 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.2 -48.93 73.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.521 -0.763 . . . . 1.05 109.765 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.89 -40.26 72.75 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.048 -0.524 . . . . 0.93 111.187 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.05 -36.9 78.21 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.151 -0.477 . . . . 1.06 111.237 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -70.96 -34.74 71.74 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.845 -0.342 . . . . 2.02 110.09 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 91' ' ' ALA . 70.3 mt -58.03 -53.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.248 -0.649 . . . . 1.05 109.248 171.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.66 -37.11 94.23 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.825 -0.702 . . . . 0.23 112.317 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 6.2 m-80 -69.34 -37.34 77.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.8 -0.235 . . . . 2.18 111.414 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.3 p -61.75 -43.53 98.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.496 -0.557 . . . . 1.07 109.496 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.499 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 39.1 m-85 -64.22 -42.8 96.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.678 -0.692 . . . . 1.06 110.301 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.454 ' HB2' ' OH ' ' A' ' 112' ' ' TYR . 90.7 t80 -55.7 -44.07 77.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.363 -0.835 . . . . 0.54 111.072 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -72.38 -30.69 64.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.177 -0.465 . . . . 1.31 110.86 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.7 pt-20 -91.91 -1.23 57.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.408 -0.36 . . . . 0.57 111.584 -173.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 79.44 23.26 0.51 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.968 0.793 . . . . 1.59 111.521 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 88.0 mttt -101.22 60.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.141 0.496 . . . . 2.37 110.1 172.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.516 ' HB2' HD11 ' A' ' 135' ' ' LEU . 68.7 m-85 -64.35 -26.11 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 1.01 111.953 -175.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -59.05 -47.48 85.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.249 0.547 . . . . 2.14 109.71 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.11 -28.24 42.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.67 110.67 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.469 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -58.51 -56.73 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.067 0.46 . . . . 1.06 110.029 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.53 ' CD1' ' HB2' ' A' ' 131' ' ' ALA . 7.0 mm -60.91 -34.86 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 1.23 111.162 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -54.25 -56.72 15.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.51 110.188 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.482 ' CG ' HG21 ' A' ' 95' ' ' ILE . 92.4 m-85 -79.02 -20.48 48.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.821 -0.627 . . . . 0.36 111.281 -176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.454 ' OH ' ' HB2' ' A' ' 100' ' ' PHE . 6.2 m-30 -59.35 -57.52 12.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.123 -0.325 . . . . 0.89 110.123 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.29 -25.53 67.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 1.78 110.841 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 9.9 mmtm -69.5 -32.05 70.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 1.85 110.592 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.569 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.9 t -71.43 -45.56 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.15 -0.685 . . . . 1.41 109.15 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.9 -28.7 62.27 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.963 -0.562 . . . . 1.09 109.761 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -68.42 -46.01 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.25 -0.886 . . . . 1.07 111.495 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -86.02 -49.91 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.53 111.279 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.697 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 6.0 t-160 -149.74 98.01 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.096 -0.502 . . . . 0.55 109.877 -175.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.76 122.48 14.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 3.5 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.533 ' HB ' ' OD1' ' A' ' 123' ' ' ASP . 1.1 p -139.46 136.62 17.94 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.549 0.69 . . . . 1.27 111.166 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -46.84 -31.93 11.64 Favored 'Trans proline' 0 C--N 1.342 0.229 1 C-N-CA 125.337 4.024 . . . . 1.08 114.262 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.533 ' OD1' ' HB ' ' A' ' 121' ' ' THR . 6.7 p-10 -72.05 -43.4 64.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.672 0.249 . . . . 2.2 111.672 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -76.16 -27.29 17.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.213 -0.595 . . . . 1.09 109.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.53 -47.25 70.45 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.489 -0.93 . . . . 1.29 108.489 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -58.41 -42.52 87.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.071 -0.968 . . . . 2.55 110.711 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -69.62 -42.83 73.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.371 -0.832 . . . . 2.06 111.979 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.95 -33.88 77.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.043 0.449 . . . . 1.74 110.403 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.58 -42.47 67.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 1.8 109.977 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 44.9 tp60 -63.4 -54.58 34.58 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.941 -0.572 . . . . 2.14 110.873 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.53 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . . . -60.92 -31.66 71.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.919 -0.312 . . . . 1.02 111.263 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.495 ' N ' HD11 ' A' ' 109' ' ' ILE . 28.4 tt0 -71.52 -47.82 52.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.543 -0.463 . . . . 2.04 110.345 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.53 ' HB2' ' HZ1' ' A' ' 133' ' ' LYS . 0.0 OUTLIER -65.87 -33.43 75.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.678 0.275 . . . . 2.42 110.523 176.548 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.9 mt -67.03 -49.73 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.185 0.517 . . . . 1.1 110.41 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 105' ' ' TYR . 37.6 tp -66.16 -27.86 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 1.96 110.606 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.0 tttm -64.69 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 3.76 110.137 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -72.03 -26.59 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.996 -0.547 . . . . 2.28 110.746 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.69 -20.79 59.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.775 -0.648 . . . . 2.0 110.978 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.627 -0.701 . . . . 2.99 110.834 179.563 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 9.3 pt-20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.284 0.564 . . . . 3.26 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.462 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 94.1 m-20 -84.38 -21.69 30.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.009 -0.541 . . . . 1.94 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 67.7 mmtt -57.17 -58.56 7.69 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.855 0.359 . . . . 2.71 111.585 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.28 -43.79 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 3.21 110.682 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.54 ' HB3' HD22 ' A' ' 43' ' ' LEU . 4.2 tt0 -61.76 -32.46 72.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.752 -0.658 . . . . 2.85 110.868 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -61.96 -35.42 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 1.14 110.574 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 41.4 mt -63.98 -39.19 93.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.91 0.386 . . . . 2.57 110.07 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -66.49 -43.34 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.665 . . . . 3.36 109.795 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 49.5 mm-40 -63.12 -36.36 83.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.54 111.61 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.0 ttpp -67.16 -38.5 85.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.245 -0.582 . . . . 1.39 109.977 176.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.71 -42.96 94.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 2.32 110.487 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.18 -42.25 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.951 -0.568 . . . . 1.24 110.729 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.49 -49.14 76.52 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.41 111.72 175.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 56.8 t30 -66.33 -33.26 75.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 1.94 110.753 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.75 -44.9 88.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.93 110.537 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.68 89.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.499 0.666 . . . . 1.19 109.763 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 83.9 t80 -55.78 -39.06 70.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.75 -1.113 . . . . 1.11 111.11 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mttt -72.63 -18.26 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.941 -0.572 . . . . 2.27 111.475 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -107.34 16.03 24.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.471 -0.331 . . . . 2.78 111.388 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 65.1 14.89 9.68 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.142 -0.481 . . . . 2.84 111.94 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.446 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 5.2 m-20 -86.36 63.53 8.05 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.327 -0.99 . . . . 1.62 108.327 170.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 57' ' ' VAL . 82.6 m-85 -66.08 -37.12 85.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.86 112.189 -169.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 17.7 m-20 -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.455 -0.498 . . . . 1.93 109.762 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 45.5 m -66.11 -37.57 86.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.584 -0.735 . . . . 1.15 110.404 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.89 -56.56 20.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 1.1 110.423 175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HB2' HG13 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -60.76 -24.55 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.94 . . . . 1.44 110.353 -179.558 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -70.74 -48.08 56.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 2.0 110.873 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.68 -27.31 58.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.502 -0.479 . . . . 0.57 110.201 177.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.516 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 12.0 m-30 -64.58 -39.54 93.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.435 -0.58 . . . . 1.07 109.435 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.618 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 37.6 t70 -64.38 -44.61 90.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.316 -0.856 . . . . 1.51 109.795 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG3' ' HG3' ' A' ' 17' ' ' GLU . 22.1 tptm -59.56 -47.63 84.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.825 . . . . 1.87 110.319 177.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.93 75.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.436 -0.347 . . . . 1.05 110.569 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -74.3 -26.82 60.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 2.0 110.783 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 50.8 mm-40 -77.19 -35.79 55.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.955 0.407 . . . . 2.78 109.946 174.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 13' ' ' GLN . 9.7 mp -70.77 -42.61 70.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.693 -0.685 . . . . 1.11 110.321 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' OD2' ' HB2' ' A' ' 47' ' ' ASN . 49.3 t0 -139.91 88.79 11.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.184 -0.462 . . . . 1.11 111.323 177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.93 -7.88 20.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.889 2.393 . . . . 0.74 112.417 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.1 p -101.77 9.06 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.023 0.44 . . . . 1.15 110.98 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.3 t30 -103.85 105.85 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 2.13 109.547 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.56 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.4 ppp? -58.74 -33.57 70.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.35 -0.841 . . . . 1.05 110.977 -172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.475 ' HB ' HD22 ' A' ' 47' ' ' ASN . 30.4 m -63.11 -31.48 72.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.724 -0.671 . . . . 1.3 112.028 -173.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 20.4 m-85 -72.9 -35.31 67.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.06 -0.656 . . . . 0.99 109.995 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.478 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 68.9 mt -72.68 -36.04 52.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.959 -1.018 . . . . 1.13 110.436 -177.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.511 HG21 ' CB ' ' A' ' 74' ' ' ALA . 44.1 p -72.75 -32.96 66.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 1.04 110.536 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.44 -40.18 96.45 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.781 -0.451 . . . . 2.0 109.781 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.618 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 53.5 mt-30 -55.82 -53.03 61.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.441 0.639 . . . . 2.0 110.427 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -55.39 -41.08 72.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.572 -1.195 . . . . 1.09 111.284 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.08 69.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.769 -0.651 . . . . 1.07 111.374 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 34' ' ' LEU . 47.6 t -69.16 -46.59 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 C-N-CA 120.778 -0.369 . . . . 1.11 110.522 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.595 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 72.5 m-85 -56.7 -37.39 70.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.816 0.341 . . . . 0.91 110.333 177.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.3 -46.78 82.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.7 109.921 175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.21 -28.24 63.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 1.42 110.902 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 43.5 mtmt -74.66 -22.71 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.176 -0.92 . . . . 1.7 111.059 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.37 40.55 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.41 112.028 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.36 79.49 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.647 -0.501 . . . . 1.26 109.647 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -71.04 -23.88 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.9 110.542 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 16.3 m120 -65.6 -47.05 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 2.75 110.284 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 53.0 tptt -68.27 -33.88 75.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.308 -0.405 . . . . 1.33 111.114 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -62.42 -46.73 87.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.5 -0.318 . . . . 1.93 110.654 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' HD3' ' HH ' ' A' ' 99' ' ' TYR . 2.7 ppt_? -71.52 -25.2 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.88 110.147 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 11.0 tp10 -62.88 -58.06 8.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.605 -0.725 . . . . 2.08 110.595 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 88.2 mt -70.43 -38.57 74.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.366 -0.834 . . . . 1.05 112.265 -174.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' ILE . 92.4 m -60.43 -45.85 92.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.728 -0.389 . . . . 1.1 111.586 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.86 -36.49 81.4 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 2.09 110.6 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 10.3 tppt? -66.9 -50.57 62.01 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.008 -0.367 . . . . 1.82 110.008 175.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 48' ' ' MET . . . -55.99 -43.63 77.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.817 0.341 . . . . 1.05 110.129 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 71' ' ' CYS . 35.2 mt -61.41 -41.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 1.08 110.582 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.93 -47.74 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.702 -0.481 . . . . 2.35 109.702 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 42.5 t -61.55 -46.34 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.093 -0.958 . . . . 1.04 111.348 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.71 -38.83 60.92 Favored Glycine 0 C--O 1.217 -0.94 0 C-N-CA 120.975 -0.631 . . . . 0.27 112.388 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -72.78 -19.86 61.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.653 0.74 . . . . 3.02 109.273 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.8 tt0 -72.86 -53.1 12.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.755 -1.112 . . . . 1.96 110.758 173.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.87 5.99 50.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.038 -0.983 . . . . 1.86 111.532 -173.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 63.71 52.74 2.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.151 -0.932 . . . . 5.39 111.638 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.508 ' OE2' ' HG3' ' A' ' 48' ' ' MET . 30.5 tt0 -87.64 168.25 13.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.492 -0.776 . . . . 1.6 109.481 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.546 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 17.5 t70 -47.36 113.44 0.69 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.939 0.496 . . . . 0.82 112.174 -176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.2 p90 -74.49 -22.62 58.99 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.032 0.444 . . . . 0.95 110.85 -178.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.4 mtm180 -64.56 -38.68 91.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.901 -0.777 . . . . 3.57 108.901 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -66.62 -39.17 88.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.206 -1.361 . . . . 2.13 110.15 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.0 mt -59.5 -40.4 81.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 1.04 111.188 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.673 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.485 -0.325 . . . . 1.07 110.549 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.64 -30.98 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.576 -0.527 . . . . 1.87 109.576 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -67.98 -44.77 75.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 1.05 110.164 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.7 m-85 -58.26 -40.85 82.92 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.93 110.699 175.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.62 -38.39 90.82 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.571 -0.741 . . . . 1.06 110.69 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -67.81 -41.14 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.043 -0.263 . . . . 2.02 110.518 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' ALA . 81.2 mt -56.85 -56.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.89 -0.411 . . . . 1.05 109.89 175.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.22 -34.5 89.34 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.461 -0.791 . . . . 0.23 112.198 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.628 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 48.2 t30 -71.68 -31.14 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.714 0.292 . . . . 2.18 110.733 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -64.56 -47.71 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.557 -0.534 . . . . 1.07 109.557 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.8 m-85 -62.66 -37.48 86.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 1.06 110.288 175.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -57.98 -38.53 76.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.451 -0.795 . . . . 0.54 110.586 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.0 mmmt -77.07 -29.51 55.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 1.31 111.129 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.483 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -94.59 4.12 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.57 111.373 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 75.36 14.55 2.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.578 0.751 . . . . 1.59 112.423 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.3 mttm -89.38 59.53 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.609 -0.515 . . . . 2.37 109.609 172.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.463 ' HB2' HD11 ' A' ' 135' ' ' LEU . 69.3 m-85 -63.0 -25.8 68.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 1.01 111.696 -174.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.154 0.502 . . . . 2.14 109.751 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -77.33 -32.17 55.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.67 110.303 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -55.42 -60.57 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 1.06 110.264 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.54 HG21 ' SG ' ' A' ' 128' ' ' CYS . 12.2 mt -59.14 -34.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.23 111.238 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -55.05 -61.24 2.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.51 110.238 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.542 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 93.2 m-85 -75.7 -20.62 58.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.026 -0.534 . . . . 0.36 111.163 -176.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.507 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 5.1 m-85 -60.64 -54.77 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.313 -0.625 . . . . 0.89 109.313 169.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' HA ' HD21 ' A' ' 116' ' ' LEU . 20.5 t-20 -58.36 -29.95 66.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 1.78 110.58 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 117' ' ' ALA . 44.6 mmtt -66.67 -34.24 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.85 110.714 175.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.566 ' HB3' HG11 ' A' ' 124' ' ' VAL . 48.0 t -69.97 -42.18 73.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.235 -0.654 . . . . 1.41 109.235 175.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 113' ' ' ASN . 2.3 mm? -59.18 -29.53 67.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.314 0.578 . . . . 1.09 109.592 172.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -69.68 -35.81 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.203 -0.908 . . . . 1.07 111.628 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -96.19 -50.03 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.351 . . . . 0.53 111.747 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.673 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.4 t-160 -146.62 98.16 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.313 0.578 . . . . 0.55 110.174 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -61.19 108.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.805 -1.088 . . . . 3.5 111.385 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.44 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 19.1 p -126.01 137.16 29.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.7 0.762 . . . . 1.27 111.166 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_endo -49.19 -38.43 41.12 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 125.003 3.802 . . . . 1.08 113.778 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 25.4 t70 -64.27 -51.65 62.54 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 123.151 0.282 . . . . 2.2 111.344 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.566 HG11 ' HB3' ' A' ' 115' ' ' SER . 21.6 t -68.57 -31.09 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 1.09 110.311 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.25 -49.89 72.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.651 -0.87 . . . . 1.29 108.651 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 32.0 tttp -51.45 -46.75 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.627 -1.169 . . . . 2.55 111.004 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 13.4 mmmm -75.7 -35.52 60.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.838 -1.073 . . . . 2.06 112.009 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.54 ' SG ' HG21 ' A' ' 109' ' ' ILE . 50.3 t -67.27 -44.58 78.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.226 -0.443 . . . . 1.74 110.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.8 110.168 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 8.5 tt0 -66.13 -53.37 38.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.756 -0.656 . . . . 2.14 110.674 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.19 71.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.762 0.315 . . . . 1.02 111.199 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.42 -42.41 75.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 2.04 110.506 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.5 ptmt -75.57 -33.56 60.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 2.42 110.237 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.626 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 60.9 mt -62.18 -51.61 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 1.1 110.107 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 105' ' ' TYR . 35.9 tp -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 1.96 110.5 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.27 -29.56 69.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.629 . . . . 3.76 110.468 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -90.41 -25.62 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.053 -0.521 . . . . 2.28 110.832 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 83.6 mm-40 -71.66 -31.51 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 2.0 111.4 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.456 -0.783 . . . . 2.99 110.68 178.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.3 tp10 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.315 0.579 . . . . 3.26 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.429 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 25.1 p30 -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 114.797 -1.092 . . . . 1.94 112.713 -173.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.1 mttt -62.06 -47.35 85.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.955 0.407 . . . . 2.71 110.648 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.12 -37.13 66.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 3.21 110.233 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 1.1 mp0 -64.1 -35.15 79.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.695 -0.684 . . . . 2.85 110.713 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.37 -34.78 75.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.81 -0.632 . . . . 1.14 110.58 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 tm? -63.21 -42.64 99.33 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.094 -0.706 . . . . 2.57 109.094 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -68.1 -39.76 82.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 3.36 110.709 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -61.85 -34.38 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.598 0.237 . . . . 0.54 110.669 175.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -64.83 -39.1 93.03 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.641 -0.503 . . . . 1.39 109.641 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.4 mt-10 -68.17 -42.39 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 2.32 110.903 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 3.2 mm? -62.93 -43.41 98.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 1.24 110.755 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.83 -50.08 60.16 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.146 -0.782 . . . . 0.41 111.146 175.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.944 ' HB2' ' HH ' ' A' ' 37' ' ' TYR . 26.5 t-20 -57.86 -34.88 70.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.509 . . . . 1.94 111.441 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.07 -51.56 60.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.827 -0.624 . . . . 0.93 110.901 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.39 72.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 1.19 110.241 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.1 t80 -56.45 -41.89 77.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.988 -1.006 . . . . 1.11 110.712 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 2.2 mptp? -68.09 -31.03 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 2.27 111.271 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.65 17.58 10.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.916 -0.583 . . . . 2.78 111.795 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 48.5 mtmt 57.06 19.08 4.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.179 0.514 . . . . 2.84 111.862 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 42.3 m-20 -90.86 58.68 3.9 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.418 -0.956 . . . . 1.62 108.418 174.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.5 m-85 -62.19 -34.09 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.86 112.362 -169.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.531 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 4.0 p30 -64.65 -41.01 96.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.234 0.54 . . . . 1.93 109.929 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 41.3 m -74.53 -36.37 63.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.561 -0.745 . . . . 1.15 109.977 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.78 -58.66 7.39 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.331 -0.849 . . . . 1.1 109.961 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB2' HG13 ' A' ' 57' ' ' VAL . 1.4 tm? -58.78 -33.02 69.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.782 -1.099 . . . . 1.44 110.265 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.83 -48.81 77.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 2.0 111.247 -177.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -74.36 -32.59 62.82 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.606 -0.438 . . . . 0.57 110.287 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.944 ' HH ' ' HB2' ' A' ' 22' ' ' ASN . 7.5 m-85 -59.85 -42.35 93.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 1.07 109.687 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.01 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.885 -1.052 . . . . 1.51 109.878 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -60.84 -45.11 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.298 -0.865 . . . . 1.87 109.814 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.49 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.04 -0.527 . . . . 1.05 110.735 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CB ' HE22 ' A' ' 54' ' ' GLN . 56.2 tttm -79.3 -30.46 42.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.065 0.459 . . . . 2.0 110.665 176.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.37 -35.22 73.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.015 -0.735 . . . . 2.78 109.015 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 10.2 mp -74.79 -52.6 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.052 -0.977 . . . . 1.11 110.34 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 32.6 t0 -132.9 94.95 19.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.048 0.451 . . . . 1.11 111.293 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 -15.54 20.33 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.962 2.441 . . . . 0.74 113.064 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.5 p -87.8 -17.61 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 1.15 110.769 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.494 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.5 t30 -82.18 92.84 6.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.393 -0.595 . . . . 2.13 109.393 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.583 ' HE2' HG12 ' A' ' 88' ' ' ILE . 22.0 ptm -56.88 -25.76 57.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.975 -1.011 . . . . 1.05 112.596 -173.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.491 ' HB ' HD22 ' A' ' 47' ' ' ASN . 18.4 m -59.53 -31.26 69.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 1.3 111.375 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 20.1 m-85 -70.99 -32.25 69.02 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.99 109.718 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 62.4 mt -78.81 -40.27 23.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.016 -0.993 . . . . 1.13 110.92 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -68.3 -33.22 73.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 1.04 110.618 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.5 m-20 -72.39 -32.28 66.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.643 -0.708 . . . . 2.0 110.126 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.542 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 72.8 mt-30 -61.1 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.409 0.623 . . . . 2.0 110.031 171.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.64 64.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.705 -1.134 . . . . 1.09 110.941 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.551 -0.75 . . . . 1.07 111.456 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG13 ' HB2' ' A' ' 34' ' ' LEU . 31.6 t -63.53 -46.35 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 110.08 -0.341 . . . . 1.11 110.08 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.559 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 69.6 m-85 -58.08 -35.39 71.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.91 110.66 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 2.7 t80 -60.2 -45.29 93.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.377 -0.601 . . . . 0.7 109.377 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.46 -28.86 68.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 1.42 110.599 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 40.4 mtmt -78.58 -21.18 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.268 -0.878 . . . . 1.7 111.519 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.51 4.65 55.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.889 -0.672 . . . . 0.41 111.706 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -96.82 72.3 2.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 1.26 110.411 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -69.37 -26.27 64.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.9 110.943 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.38 -43.43 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 2.75 110.457 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.5 tptt -67.95 -32.65 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.943 -0.303 . . . . 1.33 110.609 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.64 -46.1 87.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.845 -0.798 . . . . 1.93 108.845 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.648 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -59.95 -40.17 88.09 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.582 -0.735 . . . . 3.88 110.315 176.106 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 26.9 mm-40 -55.35 -50.5 69.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.08 111.575 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.32 -34.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.508 0.558 . . . . 1.05 112.508 -169.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.648 ' SG ' ' HA ' ' A' ' 68' ' ' ARG . 4.6 p -60.08 -56.64 19.2 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.069 -0.253 . . . . 1.1 111.363 -178.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -26.61 66.35 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.714 -0.394 . . . . 2.09 110.967 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -62.47 -54.52 38.79 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.458 -0.571 . . . . 1.82 109.458 170.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' HB3' ' HB ' ' A' ' 51' ' ' ILE . . . -56.04 -46.28 78.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.503 -0.771 . . . . 1.05 110.663 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.2 mt -61.78 -42.06 93.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 1.08 110.969 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.36 -44.03 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.119 0.485 . . . . 2.35 109.881 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 40.0 t -62.8 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.161 -0.927 . . . . 1.04 111.805 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.43 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -73.78 -43.57 34.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.27 112.539 -177.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.96 -25.77 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 3.02 109.804 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.2 tp10 -65.98 -53.7 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.236 -0.893 . . . . 1.96 110.82 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -96.61 15.7 20.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.133 -0.939 . . . . 1.86 111.441 -167.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.0 42.37 7.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.776 -0.647 . . . . 5.39 111.432 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.2 tp10 -83.03 166.49 18.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.778 -0.646 . . . . 1.6 109.923 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 87' ' ' GLN . 37.1 t70 -50.34 107.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.713 0.633 . . . . 0.82 111.789 -178.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.502 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.9 p90 -70.77 -21.82 62.46 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.31 0.576 . . . . 0.95 110.226 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 83.2 mtm180 -63.51 -40.76 97.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.581 -0.736 . . . . 3.57 109.169 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 56.3 tp60 -65.28 -39.63 92.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.651 -1.159 . . . . 2.13 110.204 172.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.583 HG12 ' HE2' ' A' ' 48' ' ' MET . 12.4 mt -58.49 -41.61 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.897 -0.592 . . . . 1.04 111.32 175.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.644 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.7 -37.43 86.46 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.973 0.416 . . . . 1.07 110.518 177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HB3' ' HZ2' ' A' ' 90' ' ' LYS . 1.5 mmmp? -69.61 -30.01 67.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.615 -0.513 . . . . 1.87 109.615 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.64 -48.84 73.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.828 -0.623 . . . . 1.05 109.601 172.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.68 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 18.8 m-85 -53.74 -43.58 69.21 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.835 -0.62 . . . . 0.93 111.449 176.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.06 72.12 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.006 -0.543 . . . . 1.06 110.917 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtt-85 -68.72 -42.45 77.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.967 -0.383 . . . . 2.02 109.967 174.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.581 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.4 mt -61.27 -52.42 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.05 109.529 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.68 -36.85 92.49 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.082 -0.963 . . . . 0.23 111.786 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.514 ' HA ' ' HH ' ' A' ' 112' ' ' TYR . 12.2 t30 -75.13 -26.29 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.785 -0.244 . . . . 2.18 110.979 -179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -64.72 -47.28 78.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.18 -0.674 . . . . 1.07 109.18 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.499 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.1 m-85 -65.28 -43.43 91.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.298 -0.864 . . . . 1.06 110.528 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -55.55 -44.46 76.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.57 -0.741 . . . . 0.54 110.417 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 18.0 tppt? -74.28 -22.45 59.29 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.3 -0.864 . . . . 1.31 111.741 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -103.52 1.64 32.55 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.643 0.258 . . . . 0.57 111.663 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 74.22 33.07 0.94 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.453 0.701 . . . . 1.59 111.418 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 76.6 mttt -110.68 58.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.489 0.662 . . . . 2.37 109.218 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.52 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 71.7 m-85 -59.94 -29.42 68.39 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.212 -0.904 . . . . 1.01 113.288 -172.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.68 -45.84 92.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.349 0.595 . . . . 2.14 109.988 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -76.62 -26.83 55.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.545 -0.752 . . . . 0.67 110.293 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.88 -56.28 24.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 1.06 109.864 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.539 HG21 ' SG ' ' A' ' 128' ' ' CYS . 18.7 mt -62.46 -30.42 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 1.23 111.477 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 85.1 t60 -57.39 -62.84 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.429 . . . . 0.51 110.438 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.539 ' HA ' ' CB ' ' A' ' 114' ' ' LYS . 87.8 m-85 -70.98 -19.18 62.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.427 -0.806 . . . . 0.36 111.603 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.514 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 4.3 m-30 -66.4 -61.43 2.01 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.774 -0.37 . . . . 0.89 110.928 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' HA ' HD22 ' A' ' 116' ' ' LEU . 3.5 t-20 -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.945 0.879 . . . . 1.78 109.23 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.68 ' HG2' ' CE1' ' A' ' 92' ' ' TYR . 7.8 tptp -63.87 -38.75 92.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.836 -1.529 . . . . 1.85 110.695 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.543 ' HB3' HG12 ' A' ' 124' ' ' VAL . 41.8 t -69.02 -43.76 74.11 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.256 -0.646 . . . . 1.41 109.256 175.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -57.56 -27.76 62.96 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.265 0.555 . . . . 1.09 109.642 173.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -72.69 -34.01 66.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.216 -0.902 . . . . 1.07 111.469 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -93.03 -50.42 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.53 111.176 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.644 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.9 t-160 -145.61 98.65 3.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.318 0.58 . . . . 0.55 109.7 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.467 ' HG3' HD12 ' A' ' 116' ' ' LEU . 38.2 ttm180 -56.99 109.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.8 -1.091 . . . . 3.5 111.092 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.444 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 3.2 p -130.13 133.3 24.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 121.823 0.82 . . . . 1.27 111.487 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.12 -41.73 40.51 Favored 'Trans proline' 0 C--N 1.343 0.268 1 C-N-CA 125.391 4.06 . . . . 1.08 114.631 -177.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.65 -42.17 82.64 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.483 0.179 . . . . 2.2 111.483 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' A' ' 115' ' ' SER . 4.8 t -71.54 -35.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.215 -0.594 . . . . 1.09 109.58 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.35 -46.88 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.199 -0.667 . . . . 1.29 109.199 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.12 -50.27 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.02 -0.991 . . . . 2.55 110.609 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 11.1 mptt -61.66 -39.63 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 2.06 111.968 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.539 ' SG ' HG21 ' A' ' 109' ' ' ILE . 48.7 t -65.46 -44.51 87.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.991 -0.549 . . . . 1.74 110.137 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.3 -36.2 83.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.273 0.559 . . . . 1.8 109.801 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.462 ' O ' HG13 ' A' ' 134' ' ' ILE . 46.9 tp60 -63.76 -47.7 79.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.101 -0.954 . . . . 2.14 110.968 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.39 96.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.277 0.473 . . . . 1.02 112.277 -174.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.7 pt-20 -71.0 -35.57 72.12 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.57 -0.452 . . . . 2.04 111.33 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 22.0 ptmt -73.28 -34.9 66.04 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.555 -0.458 . . . . 2.42 109.822 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 130' ' ' GLN . 23.0 mt -61.51 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 1.1 110.504 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.1 mt -57.89 -34.59 69.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.04 -0.527 . . . . 1.96 111.141 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 21.4 tptp -72.34 -28.73 63.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.946 0.403 . . . . 3.76 110.616 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.31 -22.7 60.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.239 0.543 . . . . 2.28 110.135 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.83 -24.15 48.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.4 -0.818 . . . . 2.0 110.421 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 8.0 pt-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.872 -0.604 . . . . 2.99 110.389 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.628 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.401 -0.592 . . . . 3.26 109.401 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 85.9 m-20 -65.41 -30.02 70.78 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.622 -0.431 . . . . 1.94 111.14 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 37.6 mtpt -58.8 -54.3 48.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.649 0.262 . . . . 2.71 111.348 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HG2' ' OE1' ' A' ' 9' ' ' GLU . 34.7 mmtp -63.77 -40.81 97.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 3.21 110.584 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.53 ' HB3' HD21 ' A' ' 43' ' ' LEU . 30.1 tt0 -63.07 -30.86 71.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.956 -0.565 . . . . 2.85 110.643 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -63.42 -36.89 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 1.14 110.526 178.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.1 tm? -65.67 -40.37 92.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.495 -0.928 . . . . 2.57 108.495 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 13' ' ' GLN . 78.2 tttt -60.15 -49.89 75.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 3.36 110.588 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.56 -32.73 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.54 111.585 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.18 -43.05 88.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.928 -0.397 . . . . 1.39 109.928 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 59.5 mt-10 -65.73 -45.8 81.29 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.32 110.791 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD21 ' HG2' ' A' ' 16' ' ' LYS . 3.6 mm? -57.34 -40.94 79.05 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.141 -0.481 . . . . 1.24 110.426 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.58 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.93 -53.85 20.95 Favored Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 119.994 -1.098 . . . . 0.41 111.508 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -55.69 -31.21 62.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 1.94 111.592 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.02 -50.42 55.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.93 110.215 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.03 79.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.795 . . . . 1.19 109.967 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 67.7 t80 -56.57 -42.9 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.967 -1.015 . . . . 1.11 110.357 177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 85.2 mttt -69.84 -28.53 65.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.832 . . . . 2.27 111.287 179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.86 14.85 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 2.78 111.437 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 59.31 19.47 7.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.13 -0.486 . . . . 2.84 111.978 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 21.9 m-20 -87.59 59.35 5.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.213 -1.032 . . . . 1.62 108.213 172.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HG13 ' A' ' 57' ' ' VAL . 81.2 m-85 -61.3 -39.73 91.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.225 -0.898 . . . . 0.86 112.573 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.678 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 2.0 p-10 -65.65 -42.01 91.92 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.582 -0.847 . . . . 1.93 109.835 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.6 m -64.33 -38.25 90.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.426 0.631 . . . . 1.15 110.129 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.58 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.49 -49.49 71.13 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 115.316 -0.857 . . . . 1.1 110.578 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB2' HG13 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -62.72 -36.19 82.19 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.921 -0.581 . . . . 1.44 109.512 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.678 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -56.95 -50.58 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.426 -0.806 . . . . 2.0 109.946 174.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -67.14 -42.87 83.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.57 111.506 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.685 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 5.4 m-85 -63.38 -46.7 85.26 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.512 -0.767 . . . . 1.07 111.108 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.628 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.5 OUTLIER -60.64 -33.67 73.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.14 0.495 . . . . 1.51 110.401 175.099 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HE3' HD11 ' A' ' 43' ' ' LEU . 50.0 tptt -64.67 -43.52 93.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.465 -0.788 . . . . 1.87 110.217 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.03 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.392 . . . . 1.05 110.8 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PRO . 27.2 tptp -67.37 -35.94 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.095 0.474 . . . . 2.0 110.684 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.58 -23.71 61.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 2.78 110.514 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 9.1 mp -84.13 -39.99 18.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.766 -0.652 . . . . 1.11 110.279 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -136.02 106.56 9.61 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-O 121.19 0.519 . . . . 1.11 111.223 173.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HA ' ' HD2' ' A' ' 41' ' ' LYS . 76.8 Cg_endo -75.46 -13.18 20.56 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.271 2.647 . . . . 0.74 113.722 -177.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.9 p -103.81 -14.85 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.327 0.492 . . . . 1.15 112.327 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.555 HD22 ' HB ' ' A' ' 49' ' ' THR . 6.7 t30 -79.17 91.27 4.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.137 0.494 . . . . 2.13 109.802 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.3 ppp? -52.01 -30.91 27.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.987 -1.006 . . . . 1.05 111.335 -177.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' HD22 ' A' ' 47' ' ' ASN . 37.0 m -62.8 -27.57 69.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.209 -0.905 . . . . 1.3 111.988 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.663 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.2 m-85 -71.54 -41.83 68.66 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.265 -0.642 . . . . 0.99 109.265 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.1 mt -65.67 -42.52 92.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.886 -1.052 . . . . 1.13 111.627 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.439 HG22 ' CB ' ' A' ' 74' ' ' ALA . 59.3 p -65.93 -29.95 70.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 1.04 110.818 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.685 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 18.1 m-80 -79.84 -31.12 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.841 -0.618 . . . . 2.0 111.121 177.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.663 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 15.0 mt-30 -58.74 -48.39 81.36 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.174 -1.047 . . . . 2.0 108.174 170.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.94 -38.64 76.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.959 -1.473 . . . . 1.09 111.094 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.12 69.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 1.07 111.321 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 34' ' ' LEU . 30.7 t -68.1 -46.93 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 120.568 -0.453 . . . . 1.11 110.219 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.587 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 57.3 m-85 -55.36 -38.38 68.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.472 -0.331 . . . . 0.91 110.624 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.67 -46.68 70.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.654 -0.703 . . . . 0.7 110.103 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.29 -27.46 59.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 1.42 111.193 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.2 mtmt -72.54 -15.45 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 1.7 111.327 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.71 5.06 56.82 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.549 -0.62 . . . . 0.41 111.549 -177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.65 75.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.139 0.495 . . . . 1.26 110.666 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -71.98 -25.39 61.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.9 110.383 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.84 -46.94 67.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.75 110.623 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.587 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.4 tptt -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 1.33 110.671 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.51 -45.66 88.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.579 . . . . 1.93 109.471 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.725 ' HE ' ' HH ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.194 -0.912 . . . . 3.88 110.231 174.525 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.0 -56.43 22.15 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.5 -0.773 . . . . 2.08 111.366 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 70.0 mt -70.14 -38.38 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 1.05 112.344 -173.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.0 m -61.76 -46.39 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.522 -0.471 . . . . 1.1 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.9 -38.17 81.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 2.09 110.699 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -64.69 -47.73 77.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.248 -0.433 . . . . 1.82 110.272 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.19 -41.51 88.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.927 -0.579 . . . . 1.05 110.324 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 71' ' ' CYS . 26.2 mt -63.45 -41.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.092 -0.504 . . . . 1.08 110.579 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.94 -48.96 79.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.388 -0.597 . . . . 2.35 109.388 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -46.11 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.215 -0.902 . . . . 1.04 111.21 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.22 61.6 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.175 -0.536 . . . . 0.27 112.55 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -66.67 -25.81 66.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.617 0.722 . . . . 3.02 109.491 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -71.87 -53.23 13.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.052 -0.977 . . . . 1.96 110.816 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.39 9.48 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.791 -0.641 . . . . 1.86 111.844 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 60.37 40.53 17.36 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.417 0.627 . . . . 5.39 110.722 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.45 168.01 18.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.061 -0.972 . . . . 1.6 110.343 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.65 112.85 0.55 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.447 0.467 . . . . 0.82 112.187 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.448 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 28.9 p90 -71.91 -22.92 61.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.158 0.504 . . . . 0.95 109.799 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 77.3 mtt180 -65.99 -35.12 79.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.856 -0.611 . . . . 3.57 109.568 176.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.41 -42.81 87.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.504 -0.771 . . . . 2.13 109.643 171.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.448 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 mt -57.85 -41.04 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.928 -1.033 . . . . 1.04 111.62 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.673 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.701 0.286 . . . . 1.07 110.736 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -70.79 -34.75 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.537 -0.542 . . . . 1.87 109.537 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.85 -43.78 91.89 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.575 -0.739 . . . . 1.05 109.995 174.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 115' ' ' SER . 21.8 m-85 -60.25 -45.63 92.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.175 -0.466 . . . . 0.93 110.709 175.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.84 -35.28 77.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.775 -0.648 . . . . 1.06 110.617 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -75.9 -36.41 59.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.02 110.486 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 91' ' ' ALA . 78.9 mt -59.96 -51.28 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.462 -0.57 . . . . 1.05 109.462 172.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.54 -34.88 91.08 Favored Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 115.402 -0.817 . . . . 0.23 111.907 177.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.584 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.0 t30 -66.29 -35.0 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 2.18 110.303 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 m -62.14 -48.6 79.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 1.07 109.811 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.725 ' HH ' ' HE ' ' A' ' 68' ' ' ARG . 50.8 m-85 -61.74 -40.21 94.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.446 -0.797 . . . . 1.06 110.473 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.69 -38.93 76.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.54 110.656 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 2.4 mmmp? -75.76 -31.79 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 1.31 110.897 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -92.16 1.6 57.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.57 111.521 -172.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 21.5 tt0 79.81 13.86 0.98 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.718 0.807 . . . . 1.59 111.815 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.6 mttm -92.92 59.68 3.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.566 0.698 . . . . 2.37 109.956 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.535 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 66.4 m-85 -61.63 -28.91 69.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.185 -0.916 . . . . 1.01 111.845 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.56 -43.67 93.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.168 0.509 . . . . 2.14 110.14 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.91 -30.38 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.78 -0.645 . . . . 0.67 110.165 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.45 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.23 -61.11 2.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.546 . . . . 1.06 110.06 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.568 HG21 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -59.95 -35.87 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 1.23 111.116 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -54.49 -57.16 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.51 110.468 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.529 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 82.2 m-85 -74.8 -24.62 58.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.141 -0.482 . . . . 0.36 111.246 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.512 ' HH ' ' HA ' ' A' ' 97' ' ' ASN . 11.3 m-30 -62.09 -49.72 74.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 110.02 -0.363 . . . . 0.89 110.02 172.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.36 -28.17 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 1.78 109.845 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 15.5 mmtt -71.72 -30.07 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.667 -0.697 . . . . 1.85 110.346 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.552 ' CB ' HG12 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -69.75 -47.2 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.302 -0.999 . . . . 1.41 108.302 175.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.433 HD13 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -57.25 -34.38 68.55 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.257 -0.883 . . . . 1.09 109.904 173.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 114' ' ' LYS . . . -60.74 -36.99 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.968 -1.015 . . . . 1.07 111.362 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -97.65 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.815 0.302 . . . . 0.53 111.815 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.673 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.7 t-160 -145.75 98.12 3.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.441 0.638 . . . . 0.55 109.837 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.433 ' HG3' HD13 ' A' ' 116' ' ' LEU . 33.7 ttp180 -71.27 116.01 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.12 -0.945 . . . . 3.5 111.052 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 p -141.53 139.42 18.7 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.384 -0.826 . . . . 1.27 110.689 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -44.53 -34.14 7.43 Favored 'Trans proline' 0 C--O 1.223 -0.228 1 C-N-CA 125.497 4.132 . . . . 1.08 114.301 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.28 -48.76 72.08 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.723 0.268 . . . . 2.2 111.723 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.552 HG12 ' CB ' ' A' ' 115' ' ' SER . 2.7 t -74.83 -32.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.186 -0.605 . . . . 1.09 109.957 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.37 -44.5 96.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.762 -0.829 . . . . 1.29 108.762 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -58.16 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.642 -1.163 . . . . 2.55 110.655 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.3 mptt -60.4 -41.55 94.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.543 -0.753 . . . . 2.06 111.725 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.568 ' SG ' HG21 ' A' ' 109' ' ' ILE . 49.9 t -62.89 -44.4 96.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.826 -0.625 . . . . 1.74 110.3 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.56 -36.09 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.158 -0.473 . . . . 1.8 110.455 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.52 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 20.1 tp60 -59.37 -54.34 47.88 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.095 -0.502 . . . . 2.14 110.373 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.36 79.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 1.02 111.362 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -66.83 -47.23 72.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 2.04 110.143 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 15.4 ptmt -71.67 -32.29 67.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 2.42 110.472 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 130' ' ' GLN . 45.0 mt -60.59 -52.85 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 1.1 109.971 173.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -58.08 -36.77 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 1.96 110.754 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -64.18 -28.99 70.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.543 -0.753 . . . . 3.76 111.098 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.22 -21.07 24.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 2.28 110.835 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 21.2 mm-40 -81.13 -37.68 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.564 . . . . 2.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.0 pt-20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 119.051 -0.5 . . . . 2.99 111.207 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.564 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 15.1 tt0 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.834 -0.432 . . . . 3.26 109.834 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.564 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 2.7 m-20 -64.85 -35.07 79.95 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 122.189 0.196 . . . . 1.94 111.418 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.65 -40.91 98.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.29 0.567 . . . . 2.71 110.735 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -68.12 -43.42 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 3.21 109.979 175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.532 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.4 tt0 -63.31 -27.73 69.53 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.841 -0.618 . . . . 2.85 110.8 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.66 -37.3 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.14 110.396 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -62.4 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 2.57 110.209 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.96 -43.36 96.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 3.36 110.026 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 47.3 mm-40 -63.66 -38.87 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.54 111.325 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 28.0 ttpt -63.22 -41.45 99.13 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.949 -0.389 . . . . 1.39 109.949 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -67.72 -41.79 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 2.32 111.183 178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.41 -39.54 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 1.24 110.713 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.84 -53.69 29.4 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.587 -0.816 . . . . 0.41 111.297 174.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.563 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -56.07 -36.03 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.24 0.543 . . . . 1.94 111.059 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -52.81 63.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.976 -0.556 . . . . 0.93 110.522 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.42 75.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 1.19 110.238 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 31.8 t80 -54.81 -40.24 69.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.12 -0.946 . . . . 1.11 110.632 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 6.0 mptp? -67.21 -27.14 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.773 -0.649 . . . . 2.27 111.798 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -98.83 18.25 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.173 -0.211 . . . . 2.78 111.106 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttp 61.33 17.02 7.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.197 0.522 . . . . 2.84 111.676 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 3.5 m-20 -85.07 57.62 4.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.909 -0.774 . . . . 1.62 108.909 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 73.0 m-85 -61.32 -34.53 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.403 -0.817 . . . . 0.86 112.56 -170.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 6.3 p-10 -63.14 -47.24 83.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 1.93 110.222 175.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 32.7 m -67.6 -36.44 80.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.588 -0.733 . . . . 1.15 109.969 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.53 -56.59 20.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.336 -0.847 . . . . 1.1 110.27 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.552 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -62.51 -29.8 70.82 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.94 -1.027 . . . . 1.44 110.431 -178.331 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -60.65 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 2.0 110.788 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -76.61 -34.54 58.37 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.534 -0.303 . . . . 0.57 110.609 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 10.7 m-85 -58.78 -44.18 90.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.253 0.549 . . . . 1.07 109.925 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 7.5 t70 -63.63 -41.17 98.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 1.51 109.851 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HE2' HD11 ' A' ' 43' ' ' LEU . 23.0 tptm -61.02 -42.69 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.203 -0.908 . . . . 1.87 110.195 176.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -28.32 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.395 . . . . 1.05 111.039 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 62.9 tttm -78.3 -29.51 47.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.418 0.628 . . . . 2.0 110.219 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.35 -32.41 68.5 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.738 -0.838 . . . . 2.78 108.738 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.6 mp -80.79 -46.23 15.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.02 -0.991 . . . . 1.11 111.125 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 8.1 t0 -138.15 94.04 11.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 1.11 110.729 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.39 -13.44 20.62 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.976 2.451 . . . . 0.74 113.129 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.3 p -89.37 -18.12 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 1.15 111.052 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.564 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 8.2 t30 -78.74 92.14 4.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.352 -0.611 . . . . 2.13 109.352 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE3' HG12 ' A' ' 88' ' ' ILE . 18.6 ptm -53.23 -28.6 28.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.1 -0.954 . . . . 1.05 111.708 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.564 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 8.9 m -56.16 -40.95 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.047 -0.524 . . . . 1.3 111.347 -177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.2 m-85 -63.91 -38.27 90.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.388 0.614 . . . . 0.99 110.149 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 67.7 mt -71.45 -41.71 73.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.907 -1.042 . . . . 1.13 110.747 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -69.0 -33.96 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 1.04 111.245 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.667 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.1 m120 -72.7 -33.11 66.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.472 . . . . 2.0 110.244 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.556 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 69.0 mt-30 -57.34 -50.16 73.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.815 0.817 . . . . 2.0 109.727 170.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB3' ' HB2' ' A' ' 70' ' ' LEU . . . -58.23 -29.04 65.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.287 -1.324 . . . . 1.09 111.474 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.74 -32.82 73.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 1.07 111.065 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 34' ' ' LEU . 38.0 t -68.71 -45.67 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 C-N-CA 120.65 -0.42 . . . . 1.11 110.546 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.8 m-85 -57.67 -30.39 65.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.964 0.411 . . . . 0.91 110.232 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.63 -32.71 74.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.793 -0.64 . . . . 0.7 110.141 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 44.6 mm-40 -81.19 -34.71 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.725 . . . . 1.42 109.952 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 35.5 mtmt -65.91 -27.01 67.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.954 -1.021 . . . . 1.7 111.311 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.31 7.97 55.46 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.41 111.584 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.91 63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.547 -0.538 . . . . 1.26 109.547 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.753 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 75.9 m-85 -61.38 -25.92 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.9 111.5 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.98 -35.59 80.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.068 -0.515 . . . . 2.75 110.246 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.5 tptt -81.49 -33.25 32.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.265 -0.425 . . . . 1.33 111.25 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.6 m -61.81 -43.68 98.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.902 0.382 . . . . 1.93 110.314 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HB2' HG23 ' A' ' 95' ' ' ILE . 2.8 ppt_? -71.31 -28.01 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 3.88 109.969 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 12.0 tp10 -63.42 -57.67 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.498 -0.774 . . . . 2.08 110.658 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 73.9 mt -68.78 -42.68 77.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.75 -0.659 . . . . 1.05 112.437 -173.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.551 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.1 m -57.6 -47.73 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.898 -0.321 . . . . 1.1 111.328 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -40.91 89.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.934 0.397 . . . . 2.09 111.083 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -65.01 -47.91 75.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 1.82 109.707 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' C ' ' HE1' ' A' ' 48' ' ' MET . . . -56.88 -42.17 79.34 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.439 -0.8 . . . . 1.05 110.441 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 71' ' ' CYS . 41.4 mt -63.06 -43.45 99.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.968 -0.56 . . . . 1.08 110.994 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.31 -42.12 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.18 0.514 . . . . 2.35 110.248 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 53.0 t -65.18 -48.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.183 -0.917 . . . . 1.04 111.462 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.482 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -69.46 -42.2 74.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.007 -0.616 . . . . 0.27 112.095 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -65.58 -26.35 67.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.324 0.583 . . . . 3.02 109.738 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 7.0 tt0 -69.53 -54.58 13.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.38 -0.827 . . . . 1.96 110.984 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -87.39 12.18 12.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.686 -1.143 . . . . 1.86 111.303 -170.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 61.8 42.32 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.427 -0.806 . . . . 5.39 110.544 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.481 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.3 tp10 -84.85 166.33 16.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.218 -0.901 . . . . 1.6 110.128 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 21.5 t70 -49.44 113.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.658 0.599 . . . . 0.82 111.942 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.447 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 10.6 p90 -76.36 -21.29 56.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.112 0.482 . . . . 0.95 110.625 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.578 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 60.2 mtt180 -65.75 -40.54 92.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.939 -0.763 . . . . 3.57 108.939 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -62.24 -37.97 87.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.692 -1.14 . . . . 2.13 110.243 171.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.547 HG12 ' HE3' ' A' ' 48' ' ' MET . 13.9 mt -62.0 -42.12 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.04 111.67 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.66 -33.64 76.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 1.07 110.709 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.6 mmmt -72.88 -28.84 62.73 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.356 -0.609 . . . . 1.87 109.356 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -69.82 -45.38 68.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.451 -0.795 . . . . 1.05 109.925 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.471 ' HB3' ' HG ' ' A' ' 115' ' ' SER . 21.0 m-85 -57.92 -46.39 85.06 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.122 -0.49 . . . . 0.93 110.605 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.86 85.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.528 -0.76 . . . . 1.06 110.551 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 40.3 ttm-85 -68.86 -39.7 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.942 -0.392 . . . . 2.02 109.942 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' ALA . 93.1 mt -56.56 -53.25 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.235 0.54 . . . . 1.05 109.679 173.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.15 -38.87 96.86 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 115.127 -0.942 . . . . 0.23 112.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 10.6 m-80 -65.06 -34.39 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.851 0.326 . . . . 2.18 110.823 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.542 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 46.1 m -61.77 -49.2 77.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 1.07 109.921 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.1 m-85 -63.04 -37.93 89.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 1.06 110.635 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.06 -38.51 83.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.434 -0.803 . . . . 0.54 110.543 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -75.07 -28.21 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.38 . . . . 1.31 110.771 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.6 pt-20 -96.11 1.16 52.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 0.57 111.425 -174.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 73.28 27.24 1.96 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.666 -0.697 . . . . 1.59 111.413 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 34.7 mtpt -102.71 56.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.596 . . . . 2.37 109.399 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.452 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 73.4 m-85 -61.01 -27.41 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.825 . . . . 1.01 112.074 -173.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -59.26 -42.11 90.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.201 0.524 . . . . 2.14 109.727 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 -33.25 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.67 110.322 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.3 -58.19 7.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.431 . . . . 1.06 110.457 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.528 HG23 ' SG ' ' A' ' 128' ' ' CYS . 15.0 mt -62.03 -36.2 72.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 1.23 111.483 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -53.0 -56.81 13.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.014 0.435 . . . . 0.51 110.162 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 95.3 m-85 -74.76 -25.36 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.36 111.208 -176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 10.2 m-30 -62.03 -50.75 70.77 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 120.522 0.201 . . . . 0.89 110.495 173.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.62 -29.25 69.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.53 . . . . 1.78 109.725 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 9.3 mmtm -70.74 -30.78 67.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.587 -0.733 . . . . 1.85 110.535 172.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.544 ' CB ' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -68.06 -45.69 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.296 -1.001 . . . . 1.41 108.296 175.188 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD13 ' HG3' ' A' ' 120' ' ' ARG . 1.9 mm? -58.99 -36.24 74.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.267 -0.879 . . . . 1.09 110.065 173.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -57.5 -45.82 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.222 -0.899 . . . . 1.07 111.411 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -86.71 -49.62 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.806 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.8 t-160 -147.88 97.72 2.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.197 0.522 . . . . 0.55 110.274 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.43 ' HG3' HD13 ' A' ' 116' ' ' LEU . 39.8 ttm180 -60.92 115.8 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.097 -0.956 . . . . 3.5 110.766 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.1 p -140.11 144.97 39.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.89 -0.596 . . . . 1.27 110.866 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -65.48 -27.43 54.32 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.527 2.818 . . . . 1.08 113.208 -170.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.29 -44.88 86.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.576 -0.284 . . . . 2.2 110.75 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.544 HG11 ' CB ' ' A' ' 115' ' ' SER . 2.4 t -78.83 -33.34 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 119.944 -0.703 . . . . 1.09 110.028 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.75 -44.2 97.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.755 -0.831 . . . . 1.29 108.755 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -56.56 -53.07 61.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.061 -0.972 . . . . 2.55 110.512 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -61.79 -40.29 94.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.202 -0.908 . . . . 2.06 111.987 -177.637 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.528 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.4 t -63.92 -50.46 68.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.104 -0.498 . . . . 1.74 110.313 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.96 -35.4 80.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 1.8 110.558 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.525 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 6.6 tp-100 -60.11 -55.97 27.39 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.201 -0.454 . . . . 2.14 110.19 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.28 76.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.965 0.412 . . . . 1.02 111.282 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.16 -43.72 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.873 -0.603 . . . . 2.04 110.62 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 21.0 ptmt -72.97 -32.52 65.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.397 -0.365 . . . . 2.42 110.298 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.57 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 43.5 mt -61.75 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 1.1 110.303 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.9 mt -60.79 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 1.96 110.41 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -71.0 -28.31 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 3.76 110.777 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 50.2 mt-10 -85.27 -16.64 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.41 . . . . 2.28 110.625 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 28.2 mt-30 -75.88 -34.05 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 2.0 110.673 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.263 -0.875 . . . . 2.99 110.514 177.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 13.6 tt0 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.309 -0.626 . . . . 3.26 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.601 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 28.7 p-10 -57.47 -40.27 78.16 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.463 0.542 . . . . 1.94 112.463 -172.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.45 -50.12 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.128 0.489 . . . . 2.71 111.174 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.41 -40.53 89.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 3.21 110.694 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.544 ' HB3' HD23 ' A' ' 43' ' ' LEU . 41.2 tt0 -64.08 -28.81 70.04 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.504 -0.316 . . . . 2.85 110.651 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -60.88 -39.14 88.09 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 1.14 110.324 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.84 -40.65 89.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.292 -0.632 . . . . 2.57 109.292 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -67.43 -44.92 77.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.682 -0.69 . . . . 3.36 110.361 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.29 -34.66 74.07 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.451 -0.34 . . . . 0.54 111.229 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 26.8 ttpp -64.86 -41.22 95.85 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 120.654 0.264 . . . . 1.39 110.48 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.85 -35.83 75.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.439 -0.346 . . . . 2.32 110.806 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.75 -41.6 91.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.081 -0.509 . . . . 1.24 110.225 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.15 -51.56 55.89 Favored Glycine 0 C--O 1.222 -0.627 0 N-CA-C 111.151 -0.78 . . . . 0.41 111.151 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.599 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 28.8 t-20 -60.94 -35.19 76.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.077 0.465 . . . . 1.94 111.954 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -64.81 -49.16 71.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.111 -0.495 . . . . 0.93 110.447 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 29' ' ' ASP . . . -62.59 -39.49 93.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.431 -0.804 . . . . 1.19 109.727 175.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 88.1 t80 -53.53 -36.75 62.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.389 -1.278 . . . . 1.11 111.207 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.599 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 97.1 mttt -70.04 -36.33 74.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.756 . . . . 2.27 112.03 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -97.66 30.04 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.822 0.344 . . . . 2.78 111.193 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 57.81 20.26 6.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 2.84 112.241 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 42.2 m-20 -84.36 56.72 3.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.005 -1.109 . . . . 1.62 108.005 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -62.3 -38.92 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 0.86 112.215 -169.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 8.4 m-20 -63.86 -45.18 90.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.356 -0.538 . . . . 1.93 109.818 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 27.5 m -63.15 -40.81 98.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 1.15 110.5 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.72 -58.84 6.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.509 -0.769 . . . . 1.1 110.562 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.676 HD11 ' CE2' ' A' ' 58' ' ' TYR . 1.1 tt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.697 -1.138 . . . . 1.44 109.999 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.88 -48.13 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.394 -0.821 . . . . 2.0 110.765 -179.545 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.423 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.3 m-70 -74.63 -35.55 62.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.57 110.158 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 53' ' ' ASN . 8.7 m-85 -58.97 -44.58 91.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.021 0.439 . . . . 1.07 110.264 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.683 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 28.4 t70 -64.6 -36.95 85.9 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.576 -0.738 . . . . 1.51 110.014 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' HD12 ' A' ' 43' ' ' LEU . 58.1 tptt -60.15 -47.3 86.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.424 -0.807 . . . . 1.87 109.559 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.62 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 1.05 110.975 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.129 0.49 . . . . 2.0 110.873 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -77.01 -32.05 56.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.485 0.66 . . . . 2.78 109.398 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 10.4 mp -79.56 -32.15 42.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.436 -0.802 . . . . 1.11 110.619 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 6.2 t70 -151.26 93.63 3.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 1.11 111.005 172.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.35 -18.27 23.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.864 2.376 . . . . 0.74 112.46 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 p -86.0 -11.49 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 1.15 111.074 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 7.2 t30 -86.92 90.26 8.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.064 -0.717 . . . . 2.13 109.064 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.542 ' HE1' HG12 ' A' ' 88' ' ' ILE . 22.7 ptm -53.76 -28.3 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.153 -0.93 . . . . 1.05 112.051 -173.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.492 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 18.8 m -55.08 -42.83 73.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.222 -0.445 . . . . 1.3 111.433 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 21.4 m-85 -61.54 -42.85 99.44 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.579 0.704 . . . . 0.99 109.913 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.7 -42.55 89.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.75 -1.114 . . . . 1.13 110.949 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -67.68 -25.29 65.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.903 0.382 . . . . 1.04 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 10.4 m120 -74.56 -38.66 62.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 2.0 110.283 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.683 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 12.9 mt-30 -59.75 -44.3 93.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.487 0.661 . . . . 2.0 109.446 173.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.27 80.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.873 -1.058 . . . . 1.09 110.857 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.33 -29.82 70.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.861 -0.609 . . . . 1.07 110.665 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 34' ' ' LEU . 45.0 t -72.05 -45.9 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.691 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.676 ' CE2' HD11 ' A' ' 34' ' ' LEU . 74.4 m-85 -57.16 -34.92 68.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.375 . . . . 0.91 110.354 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.03 -44.33 94.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.752 -0.658 . . . . 0.7 110.665 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.76 -37.42 65.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 1.42 110.554 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.507 ' HD3' HG11 ' A' ' 57' ' ' VAL . 5.3 mtpp -65.54 -26.84 68.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.649 -1.16 . . . . 1.7 111.75 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 -3.56 31.14 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.821 -0.705 . . . . 0.41 112.282 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 22.9 m-20 -90.89 75.65 6.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.016 0.436 . . . . 1.26 110.018 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.8 -36.41 80.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.9 111.428 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.97 -39.18 93.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.714 0.292 . . . . 2.75 110.858 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.596 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 56.1 tptt -67.18 -31.95 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 1.33 110.759 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.4 t -60.16 -44.4 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.717 -0.475 . . . . 1.93 109.717 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -63.47 -45.43 90.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.309 -0.405 . . . . 3.88 109.944 173.583 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' ' HD3' ' A' ' 68' ' ' ARG . 15.8 tp10 -50.27 -52.67 34.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.214 -0.903 . . . . 2.08 111.381 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.95 -36.29 56.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.977 -0.556 . . . . 1.05 112.08 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.525 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.9 m -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.518 -0.473 . . . . 1.1 111.014 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -65.98 -34.22 77.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.973 -0.291 . . . . 2.09 110.879 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.1 tpmt? -63.07 -50.05 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.887 -0.412 . . . . 1.82 109.887 174.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' C ' ' HE2' ' A' ' 48' ' ' MET . . . -60.34 -42.41 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 1.05 110.644 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 71' ' ' CYS . 35.8 mt -62.57 -42.7 96.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 1.08 110.678 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -57.93 -45.42 86.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 2.35 109.606 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.77 -48.66 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.985 -1.007 . . . . 1.04 111.682 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.439 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.4 -46.31 64.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.249 -0.501 . . . . 0.27 112.39 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -60.77 -31.29 70.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.362 0.601 . . . . 3.02 109.557 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.38 -51.77 22.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.088 -0.96 . . . . 1.96 110.922 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -87.06 13.34 9.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.658 -0.701 . . . . 1.86 111.937 -171.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 60.86 47.48 7.7 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.981 -0.554 . . . . 5.39 110.626 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.7 tp10 -94.14 166.53 12.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.674 -0.694 . . . . 1.6 110.526 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.556 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 26.0 t70 -47.75 108.57 0.16 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.835 0.854 . . . . 0.82 111.884 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.1 p90 -69.45 -21.48 63.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.152 0.501 . . . . 0.95 110.806 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.556 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 71.0 mtm180 -65.18 -46.11 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.902 -0.777 . . . . 3.57 108.902 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -58.54 -39.6 80.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.33 -1.305 . . . . 2.13 110.1 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.542 HG12 ' HE1' ' A' ' 48' ' ' MET . 12.6 mt -58.8 -44.23 89.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.699 -0.682 . . . . 1.04 111.267 174.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.658 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.3 -36.96 85.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.414 -0.357 . . . . 1.07 110.628 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.5 mmmt -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.375 -0.602 . . . . 1.87 109.375 176.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.76 -44.61 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 1.05 110.339 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -58.58 -40.24 82.59 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 120.944 0.402 . . . . 0.93 110.909 175.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.66 -35.9 82.13 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.839 -0.618 . . . . 1.06 110.881 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -70.62 -37.95 73.88 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.111 -0.236 . . . . 2.02 110.435 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 91' ' ' ALA . 76.2 mt -57.52 -56.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.534 -0.543 . . . . 1.05 109.534 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.2 -31.28 78.49 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.537 -0.839 . . . . 0.23 112.042 177.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 1.3 t-20 -71.31 -36.71 71.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.499 0.19 . . . . 2.18 110.76 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -65.08 -43.51 91.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.795 -0.446 . . . . 1.07 109.795 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.4 m-85 -62.43 -41.64 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.789 -0.641 . . . . 1.06 110.001 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.07 -37.41 71.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.926 -1.034 . . . . 0.54 110.98 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -81.35 -24.62 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.512 -0.313 . . . . 1.31 111.017 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -96.59 4.25 52.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.57 111.232 -175.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 75.88 18.69 2.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.477 -0.783 . . . . 1.59 111.62 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 56.6 mttm -97.94 58.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 2.37 109.896 173.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 77.0 m-85 -61.85 -30.72 71.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.109 -0.951 . . . . 1.01 112.268 -174.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.39 -40.65 87.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 2.14 110.257 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.21 -29.59 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.705 -0.68 . . . . 0.67 109.922 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -58.83 -57.82 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.664 . . . . 1.06 110.218 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.582 HG22 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -59.96 -33.96 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.476 -0.784 . . . . 1.23 111.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.48 -58.53 7.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.51 110.342 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.8 m-85 -74.43 -20.54 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.86 -0.609 . . . . 0.36 111.108 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 9.2 m-30 -63.18 -52.75 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.499 -0.556 . . . . 0.89 109.499 170.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -58.42 -32.54 68.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.78 110.504 176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.559 ' O ' ' HB1' ' A' ' 117' ' ' ALA . 19.3 mmtt -65.87 -33.29 75.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.55 . . . . 1.85 110.735 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.532 ' HB3' HG13 ' A' ' 124' ' ' VAL . 48.2 t -71.76 -43.74 65.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.431 -0.581 . . . . 1.41 109.431 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.487 HD11 ' HG3' ' A' ' 120' ' ' ARG . 1.5 mm? -57.61 -34.48 69.32 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.662 . . . . 1.09 109.547 172.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 114' ' ' LYS . . . -60.02 -48.15 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.785 -1.098 . . . . 1.07 111.465 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -85.52 -50.43 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.556 -0.293 . . . . 0.53 111.386 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.658 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 13.4 t-160 -144.72 98.58 3.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.437 . . . . 0.55 110.033 -176.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.487 ' HG3' HD11 ' A' ' 116' ' ' LEU . 30.5 ttt180 -60.41 115.25 3.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.528 -0.76 . . . . 3.5 110.334 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.8 p -136.29 142.95 41.64 Favored Pre-proline 0 N--CA 1.446 -0.628 0 CA-C-N 115.984 -0.553 . . . . 1.27 110.981 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_exo -67.38 -30.48 36.54 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.385 2.723 . . . . 1.08 113.54 -169.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.9 -43.96 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.528 0.204 . . . . 2.2 110.461 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 115' ' ' SER . 41.4 t -68.72 -39.17 79.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 109.917 -0.401 . . . . 1.09 109.917 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.38 -47.88 84.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 1.29 109.458 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -56.34 -50.09 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.384 -0.825 . . . . 2.55 110.724 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -58.79 -41.13 85.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.426 -0.806 . . . . 2.06 111.401 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.582 ' SG ' HG22 ' A' ' 109' ' ' ILE . 42.6 t -66.01 -43.31 88.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.283 -0.871 . . . . 1.74 109.914 -178.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.58 -39.8 94.39 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.813 -0.63 . . . . 1.8 110.218 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.99 -44.98 75.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.568 -0.742 . . . . 2.14 110.826 -176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.87 94.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.299 0.481 . . . . 1.02 112.299 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 1.6 pt-20 -71.14 -38.07 72.27 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.488 -0.485 . . . . 2.04 111.465 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -73.67 -32.54 64.03 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.622 -0.431 . . . . 2.42 110.05 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.617 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 34.1 mt -63.5 -39.43 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 1.1 110.108 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.536 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 1.2 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.751 0.31 . . . . 1.96 110.555 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 45.7 mmtm -69.51 -14.14 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.692 . . . . 3.76 110.142 174.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 134' ' ' ILE . 32.3 tt0 -94.97 -18.39 21.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.919 -1.037 . . . . 2.28 110.147 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 28.1 mm-40 -88.94 -28.75 20.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 2.0 111.739 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.295 -0.859 . . . . 2.99 111.003 -179.461 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.8 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.906 0.384 . . . . 3.26 110.746 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -60.76 -27.7 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.937 -0.574 . . . . 1.94 111.297 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.648 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 66.3 mttm -57.67 -47.75 81.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 2.19 110.696 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -63.88 -51.06 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.603 . . . . 2.83 110.889 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 2.26 110.761 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.46 110.205 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.52 -35.68 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.7 . . . . 1.98 109.216 179.002 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -72.73 -35.86 67.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.508 -0.769 . . . . 2.88 110.526 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 50.6 mm-40 -67.46 -32.98 74.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.318 -0.401 . . . . 0.54 110.233 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.78 -35.34 78.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.8 109.667 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.8 -31.88 52.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.715 -0.675 . . . . 2.32 110.206 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.36 -38.28 81.28 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.299 -0.63 . . . . 0.6 109.299 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -75.86 -38.04 37.31 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.862 -0.895 . . . . 0.41 110.862 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 34.6 t-20 -64.84 -35.63 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.649 -0.5 . . . . 1.27 109.649 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.61 -44.94 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.687 -0.688 . . . . 0.93 109.74 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -74.69 -18.83 60.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.771 -0.65 . . . . 0.58 109.853 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -74.11 -31.13 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.53 -0.759 . . . . 0.68 110.338 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 59.3 mttm -82.99 -14.09 54.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 1.62 110.627 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -104.72 26.75 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.694 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.72 -2.27 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.172 -0.467 . . . . 2.39 112.239 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.575 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -81.46 68.42 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 1.62 109.97 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.34 -31.7 72.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.71 111.844 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.82 -53.46 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.415 . . . . 1.93 110.145 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 m -65.43 -34.28 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 0.57 110.223 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -62.91 -48.48 78.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.39 110.872 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.718 ' HB2' HG11 ' A' ' 57' ' ' VAL . 2.1 tm? -66.46 -27.01 67.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.855 -0.611 . . . . 0.81 110.07 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.83 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 1.41 110.477 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -69.21 -39.23 78.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.427 . . . . 0.47 110.486 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 4.8 m-85 -60.7 -45.99 92.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.998 0.428 . . . . 0.48 109.952 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.06 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.003 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.9 tptm -67.47 -42.82 82.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.763 -0.653 . . . . 1.25 110.015 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -61.03 -31.58 71.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.26 110.222 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.72 -38.13 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.68 -0.691 . . . . 1.37 110.308 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.15 -28.57 62.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 2.78 110.13 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 7.6 mp -79.88 -24.0 41.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.49 110.502 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -162.22 83.62 1.65 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.11 110.405 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.31 -21.9 40.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.7 2.267 . . . . 0.64 112.545 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -71.69 -18.88 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.46 111.464 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -85.24 102.53 13.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 2.13 110.282 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.562 ' HG3' ' HG2' ' A' ' 83' ' ' GLU . 4.9 ppp? -68.56 -20.42 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 1.05 112.296 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.1 m -61.81 -35.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.608 0.242 . . . . 0.71 111.247 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.1 m-85 -69.87 -43.03 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.44 110.328 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 49.0 mt -63.01 -43.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.908 -0.587 . . . . 0.33 111.093 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.6 p -61.47 -38.22 86.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.28 110.451 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.77 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 1.59 110.144 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 37' ' ' TYR . 29.2 mt-30 -59.84 -49.16 78.81 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.478 -0.564 . . . . 1.34 109.478 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.46 -36.44 71.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.17 -0.923 . . . . 0.3 110.677 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.22 71.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.53 . . . . 0.3 110.215 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 34' ' ' LEU . 44.7 t -69.93 -47.33 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 0.33 110.31 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -58.59 -31.87 68.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 0.38 109.882 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.33 -29.44 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.56 109.729 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -87.69 -26.7 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.735 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -80.38 -16.38 54.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 1.1 110.936 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.39 -11.39 36.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.36 112.29 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 7.6 m-20 -82.24 73.55 9.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 1.26 110.885 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -66.09 -25.75 67.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.43 110.565 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.43 -43.88 76.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 2.18 110.092 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 6.0 tmtt? -69.55 -31.02 68.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.841 -0.618 . . . . 0.68 110.39 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.61 -50.05 70.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 1.29 109.866 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.44 -22.8 62.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.561 -0.745 . . . . 3.39 110.037 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.37 -55.12 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 2.08 111.171 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 91.9 mt -71.47 -37.52 71.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.24 111.528 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 75' ' ' ILE . 12.9 m -54.8 -59.06 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.27 . . . . 1.1 110.645 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.35 -36.29 73.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 2.09 110.225 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -62.3 -34.84 77.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.265 -0.642 . . . . 1.23 109.265 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 48' ' ' MET . . . -71.31 -32.38 68.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.417 -0.811 . . . . 0.19 109.78 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.669 HD12 HG23 ' A' ' 88' ' ' ILE . 28.0 mm -64.18 -38.11 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.258 -0.645 . . . . 0.23 109.258 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.55 -52.16 62.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 2.35 110.776 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.12 -51.79 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.847 -0.615 . . . . 0.25 111.55 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.66 -54.71 35.15 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.137 -0.554 . . . . 0.27 112.966 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -60.69 -12.4 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 2.63 110.843 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.81 -31.77 12.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 1.96 111.239 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -99.05 19.04 15.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.444 -0.344 . . . . 1.35 111.465 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.4 mmt-85 57.95 27.61 14.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.405 -0.361 . . . . 4.67 111.517 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' ' HG3' ' A' ' 48' ' ' MET . 9.9 tp10 -67.37 161.51 25.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 1.6 110.927 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 25.6 t70 -50.37 117.14 2.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.907 -0.588 . . . . 0.82 111.272 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.432 ' HA ' HD12 ' A' ' 88' ' ' ILE . 55.1 p90 -69.25 -25.39 64.25 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.149 -0.478 . . . . 0.44 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -59.89 -37.67 80.05 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.5 -0.556 . . . . 3.04 109.5 178.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -71.14 -34.1 70.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 1.46 109.297 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.669 HG23 HD12 ' A' ' 75' ' ' ILE . 22.8 mt -61.32 -38.33 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.341 -0.845 . . . . 0.25 110.015 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -69.42 -42.11 75.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.24 110.124 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 32.6 mmmt -60.34 -33.48 72.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.153 -0.684 . . . . 1.26 109.153 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 75' ' ' ILE . . . -70.53 -43.22 70.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.528 -0.76 . . . . 0.23 109.221 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -58.28 -35.35 71.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.173 -0.677 . . . . 0.24 109.173 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.71 -40.61 95.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.304 -0.862 . . . . 0.26 109.993 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -68.08 -34.99 77.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 1.5 110.416 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 91' ' ' ALA . 74.1 mt -63.67 -50.11 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.777 -0.823 . . . . 0.28 108.777 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -67.35 -25.71 73.62 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.327 -0.851 . . . . 0.23 111.292 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 6.2 t-20 -74.25 -35.58 63.82 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.314 -0.624 . . . . 1.64 109.314 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -42.62 99.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.834 -0.802 . . . . 0.94 108.834 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.648 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.8 m-85 -71.12 -37.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.267 -0.879 . . . . 0.43 109.304 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.0 -18.49 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.647 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.74 111.824 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.648 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 14.6 pt-20 -90.18 17.02 7.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.718 0.294 . . . . 0.57 111.408 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 66.97 24.75 9.51 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.541 0.571 . . . . 1.47 112.541 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 52.6 mttm -105.49 52.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 1.89 110.259 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.548 ' HB2' HD13 ' A' ' 135' ' ' LEU . 73.4 m-85 -54.38 -26.6 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.46 111.959 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -62.55 -45.36 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.57 110.493 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.95 -25.08 40.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.67 110.013 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -63.19 -57.66 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.642 . . . . 0.22 110.652 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.6 mt -56.67 -32.11 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.012 -0.54 . . . . 0.51 111.055 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' ' HE3' ' A' ' 114' ' ' LYS . 71.8 t60 -60.2 -59.1 5.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.44 110.753 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -71.12 -23.72 62.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.32 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.87 -51.01 66.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.167 -0.679 . . . . 0.32 109.167 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -60.96 -30.32 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 1.77 110.212 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' HE3' ' NE2' ' A' ' 110' ' ' HIS . 57.3 mttt -67.43 -29.55 69.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.167 -0.469 . . . . 1.25 109.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.7 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.5 t -70.87 -32.0 68.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.402 -0.592 . . . . 1.04 109.402 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 120' ' ' ARG . 4.2 mm? -73.17 -25.17 60.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.657 -0.701 . . . . 0.38 109.687 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.42 65.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.41 111.012 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -86.9 -60.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.53 110.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 12.0 t-160 -138.38 100.38 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.5 110.698 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HG3' HD12 ' A' ' 116' ' ' LEU . 35.8 ttm180 -59.58 124.45 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.0 p -139.82 144.06 37.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.62 111.062 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.97 -29.18 81.58 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.698 2.265 . . . . 0.76 112.553 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.97 -58.4 7.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.458 -0.337 . . . . 2.2 111.05 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HB3' ' A' ' 115' ' ' SER . 12.4 t -64.11 -37.09 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.35 110.988 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.29 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.503 -0.554 . . . . 0.61 109.503 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -77.09 -39.32 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.346 -0.843 . . . . 2.04 110.101 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.08 -21.55 56.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 1.48 110.554 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 43.0 t -72.14 -45.89 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.91 109.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -75.22 -27.01 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.73 -0.668 . . . . 1.38 109.751 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' OE1' ' HD3' ' A' ' 133' ' ' LYS . 7.6 tp60 -73.22 -40.52 64.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.524 -0.762 . . . . 1.72 110.849 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.15 81.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.29 111.864 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 133' ' ' LYS . 8.3 pt-20 -76.24 -40.11 52.82 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.056 -0.258 . . . . 2.04 111.459 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 132' ' ' GLU . 13.9 ptmm? -68.29 -27.35 66.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 1.9 110.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.98 -39.57 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.48 109.818 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 105' ' ' TYR . 38.3 tp -59.52 -35.76 74.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 1.37 110.091 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -63.83 -41.85 97.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.195 -0.457 . . . . 3.36 110.129 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.45 -12.35 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 2.28 109.812 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -84.98 -34.51 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 1.75 110.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.9 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.118 -0.944 . . . . 2.99 111.066 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' HG3' ' H ' ' A' ' 10' ' ' ASN . 4.4 tp10 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.831 -0.433 . . . . 3.26 109.831 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.592 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 82.6 m-20 -65.92 -30.09 70.61 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.084 0.401 . . . . 1.94 112.084 -171.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -56.32 -44.58 80.08 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.823 0.305 . . . . 2.19 111.823 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 12' ' ' LYS . 8.7 mtpm? -67.46 -44.07 79.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.051 0.453 . . . . 2.83 110.391 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.76 ' HB3' HD23 ' A' ' 43' ' ' LEU . 22.8 tt0 -62.53 -33.26 74.56 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 2.26 110.311 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.53 -36.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.46 110.747 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.663 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 2.8 tm? -63.01 -39.67 95.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.731 -0.84 . . . . 1.98 108.731 177.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -37.51 82.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 2.88 109.966 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -35.17 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.54 110.829 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 24.5 ttpp -65.42 -38.85 91.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.578 -0.527 . . . . 0.8 109.578 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 6.0 mm-40 -66.08 -44.81 83.37 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.181 -0.463 . . . . 2.32 110.751 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 1.3 mm? -62.74 -42.03 99.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.428 -0.351 . . . . 0.6 110.725 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -61.2 -58.17 14.85 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.395 -0.682 . . . . 0.41 111.395 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 66.7 t30 -56.43 -37.34 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.076 0.465 . . . . 1.27 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -59.12 -48.51 81.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.215 -0.448 . . . . 0.93 110.734 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -67.77 -30.72 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.58 110.068 176.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 56.2 t80 -62.06 -38.58 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.092 -0.958 . . . . 0.68 110.38 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 5.8 mptp? -66.72 -27.44 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.62 110.845 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -87.06 1.42 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 2.31 110.226 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.51 25.11 13.87 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.479 -0.782 . . . . 2.39 111.127 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 16.2 t0 -86.09 66.02 9.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.914 -1.513 . . . . 1.62 106.914 171.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HB3' HG13 ' A' ' 57' ' ' VAL . 26.5 m-85 -57.77 -48.05 80.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.775 -1.102 . . . . 0.71 113.594 -161.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -69.1 -30.48 68.79 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.581 -0.848 . . . . 1.93 110.851 -177.257 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 m -68.27 -39.89 82.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 0.57 110.049 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.24 -56.88 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.441 172.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.847 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -51.7 -31.92 28.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.207 -1.361 . . . . 0.81 110.26 176.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.6 tppt? -70.49 -50.45 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.585 -0.734 . . . . 1.41 111.27 -176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.8 m-70 -71.23 -33.34 69.77 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.523 -0.471 . . . . 0.47 109.841 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 11.6 m-85 -60.16 -41.55 93.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.975 -0.557 . . . . 0.48 109.622 173.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.554 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 22.4 t70 -61.76 -45.9 91.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.51 109.987 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 43' ' ' LEU . 47.6 tptt -56.25 -45.71 79.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.356 -0.838 . . . . 1.25 109.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.88 72.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.193 -0.458 . . . . 0.26 111.43 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.583 ' CE ' HE22 ' A' ' 54' ' ' GLN . 11.0 ttmt -76.85 -24.94 52.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.144 0.497 . . . . 1.37 110.415 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 60.8 mm-40 -75.46 -33.5 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.408 0.623 . . . . 2.78 109.591 174.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -76.11 -46.87 26.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.179 -0.919 . . . . 0.49 110.392 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -129.12 94.57 33.4 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.955 0.407 . . . . 1.11 110.829 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.04 -7.27 19.69 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.079 2.52 . . . . 0.64 112.809 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 p -106.37 -3.22 21.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.037 0.446 . . . . 0.46 111.314 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 13.5 t-20 -92.05 92.51 8.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.151 0.501 . . . . 2.13 109.702 177.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.815 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.7 ptm -57.19 -27.68 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.287 -0.869 . . . . 1.05 112.219 -174.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -61.56 -26.41 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.71 111.633 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 m-30 -74.45 -32.42 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.44 109.808 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.628 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 60.8 mt -80.03 -41.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 0.33 111.214 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 p -63.89 -31.49 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.22 0.533 . . . . 0.28 110.263 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.7 m-20 -75.44 -28.18 59.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 1.59 110.888 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.718 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 20.2 mt-30 -65.45 -47.2 76.96 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.829 0.823 . . . . 1.34 109.213 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.99 -38.82 80.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.132 -1.395 . . . . 0.3 110.785 179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.42 70.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.3 110.866 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.847 HG11 ' HB2' ' A' ' 34' ' ' LEU . 90.7 t -63.48 -50.64 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.33 110.32 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 61.4 m-85 -57.16 -37.6 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.455 -0.339 . . . . 0.38 110.768 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -57.82 -41.4 82.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.965 -0.561 . . . . 0.56 110.001 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -73.93 -33.82 64.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 1.42 110.577 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.4 mtmt -68.94 -15.17 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.353 -0.839 . . . . 1.1 111.493 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.9 1.86 61.37 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.553 -0.619 . . . . 0.36 111.553 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -97.29 76.89 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 1.26 110.357 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -71.78 -29.91 64.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.682 -0.69 . . . . 0.43 110.754 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.95 -39.81 90.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.519 . . . . 2.18 110.474 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 53.1 tptt -74.43 -31.07 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 0.68 110.771 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 t -61.86 -51.24 69.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 1.29 110.376 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 95' ' ' ILE . 7.5 ppt_? -68.25 -26.38 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.749 0.309 . . . . 3.39 110.4 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 8.4 tp10 -57.68 -58.9 6.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.602 -0.726 . . . . 2.08 110.583 174.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 80.6 mt -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.274 -0.875 . . . . 0.24 112.098 -173.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB2' HG12 ' A' ' 95' ' ' ILE . 84.1 m -65.66 -47.44 75.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.554 -0.458 . . . . 1.1 111.406 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.36 -30.14 70.94 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.175 -0.305 . . . . 2.09 110.175 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -66.0 -49.08 69.05 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.816 -0.438 . . . . 1.23 109.816 175.173 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.628 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.88 -45.68 91.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.19 110.429 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.815 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 53.5 mt -61.95 -43.26 97.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.275 -0.42 . . . . 0.23 110.439 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.85 -47.85 76.55 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.584 -0.524 . . . . 2.35 109.584 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 36.2 t -59.88 -47.43 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.169 -0.923 . . . . 0.25 111.525 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.52 -53.47 24.51 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 115.871 -0.604 . . . . 0.27 112.474 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 75' ' ' ILE . 15.2 ptt180 -65.25 -20.18 66.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.314 0.578 . . . . 2.63 110.236 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -72.86 -47.74 43.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 1.96 110.511 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.13 5.88 44.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.539 -0.755 . . . . 1.35 110.873 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 62.93 38.04 11.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.593 -0.73 . . . . 4.67 110.803 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.3 tp10 -75.86 168.42 20.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.058 -0.974 . . . . 1.6 110.246 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.16 117.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.113 0.783 . . . . 0.82 113.113 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 49.3 p90 -75.73 -23.61 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.332 -0.849 . . . . 0.44 110.838 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -68.04 -37.92 81.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.93 -0.767 . . . . 3.04 108.93 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.07 -45.56 84.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.439 -1.255 . . . . 1.46 109.859 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 15.1 mt -53.67 -43.25 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.604 -0.726 . . . . 0.25 111.566 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.76 -35.85 79.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.381 -0.372 . . . . 0.24 110.968 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -74.11 -30.78 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 1.26 109.806 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.23 -40.05 93.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.23 109.766 172.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 16.0 m-85 -63.52 -43.61 96.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.115 -0.493 . . . . 0.24 111.285 175.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.38 -31.04 72.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.996 -0.547 . . . . 0.26 110.326 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -75.55 -38.71 59.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.942 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -59.73 -55.49 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.138 0.494 . . . . 0.28 110.086 173.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.63 -37.66 93.79 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.284 -0.871 . . . . 0.23 111.951 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 57.2 t30 -67.48 -31.53 71.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.651 0.262 . . . . 1.64 110.346 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.5 m -61.72 -48.75 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.156 0.503 . . . . 0.94 109.96 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 67.7 m-85 -64.15 -36.41 83.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.472 -0.785 . . . . 0.43 110.396 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.2 -31.03 68.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.838 -1.074 . . . . 0.43 110.816 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 28.0 mmmt -83.37 -39.29 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 0.74 110.395 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -84.51 1.09 47.31 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.57 111.281 -171.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 26.2 mt-10 76.17 24.85 1.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.359 -0.837 . . . . 1.47 111.477 176.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 36.6 mtpt -102.01 59.89 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.593 . . . . 1.89 109.471 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 135' ' ' LEU . 81.6 m-85 -64.55 -26.18 68.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.497 -0.774 . . . . 0.46 112.452 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.8 -46.62 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 1.57 109.748 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -74.09 -32.04 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.33 -0.85 . . . . 0.67 110.271 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.95 -56.92 15.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.888 -0.597 . . . . 0.22 110.374 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 128' ' ' CYS . 16.0 mt -61.99 -34.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.423 -0.808 . . . . 0.51 111.338 -178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -56.14 -57.67 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 0.44 110.28 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.6 m-85 -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.755 -0.657 . . . . 0.32 111.079 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 5.8 m-30 -61.44 -54.74 39.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.385 -0.598 . . . . 0.32 109.385 169.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.439 ' HA ' HD23 ' A' ' 116' ' ' LEU . 20.2 t-20 -58.93 -29.95 67.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.77 110.587 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 25.0 mmtt -65.15 -34.25 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 1.25 110.668 174.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.5 t -68.39 -42.94 78.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.009 -0.737 . . . . 1.04 109.009 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -61.48 -23.04 65.62 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.234 0.54 . . . . 0.38 110.178 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -77.13 -36.86 55.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.778 . . . . 0.41 111.374 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -94.4 -50.56 5.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.53 111.424 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.661 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 11.4 t-160 -146.12 97.67 2.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.5 109.886 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 116' ' ' LEU . 51.7 ttp180 -61.8 110.68 1.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 2.87 111.143 -177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 13.0 p -129.44 134.24 26.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 121.687 0.756 . . . . 0.62 111.173 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 8.0 Cg_endo -47.31 -40.08 27.95 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 125.268 3.979 . . . . 0.76 114.781 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.89 -40.89 75.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 111.561 0.208 . . . . 2.2 111.561 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 115' ' ' SER . 6.0 t -72.05 -33.47 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.013 -0.675 . . . . 0.35 109.602 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.3 -48.01 83.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.892 -0.781 . . . . 0.61 108.892 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -55.94 -51.06 69.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.065 -0.97 . . . . 2.04 110.586 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.41 -37.67 88.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.25 -0.886 . . . . 1.48 112.029 -178.204 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 109' ' ' ILE . 38.7 t -66.55 -45.08 80.57 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.94 -0.573 . . . . 0.91 109.939 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.62 -31.56 70.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.843 -0.617 . . . . 1.38 110.361 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 38.3 tt0 -69.06 -45.79 69.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.585 -0.734 . . . . 1.72 110.604 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.23 86.77 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 0.29 112.072 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.5 pt-20 -72.78 -36.39 67.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.487 -0.485 . . . . 2.04 111.39 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 14.6 ptmm? -71.38 -35.33 71.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.494 -0.483 . . . . 1.9 109.718 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.8 mt -65.26 -46.95 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.778 -0.646 . . . . 0.48 110.717 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 105' ' ' TYR . 41.9 tp -61.52 -30.29 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 1.37 110.363 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -65.39 -32.28 73.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 3.36 110.244 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 19.2 mt-10 -77.26 -25.91 51.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 2.28 110.02 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 82.3 mm-40 -77.8 -43.92 29.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.685 -0.689 . . . . 1.75 111.487 -176.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 7.9 pt-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.491 -0.29 . . . . 2.99 110.854 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 30.3 tt0 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.819 -0.437 . . . . 3.26 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 85.0 m-20 -55.49 -37.1 67.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.953 0.353 . . . . 1.94 111.953 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -53.98 -39.42 66.01 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 2.19 111.482 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -66.81 -47.86 70.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.094 0.473 . . . . 2.83 110.288 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.678 ' HB3' HD23 ' A' ' 43' ' ' LEU . 24.6 tt0 -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.13 -0.487 . . . . 2.26 110.65 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -60.83 -37.97 83.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.076 0.465 . . . . 0.46 110.679 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.2 tm? -64.95 -39.66 93.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.047 -0.723 . . . . 1.98 109.047 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' HD23 ' A' ' 20' ' ' LEU . 55.4 tttp -61.38 -48.22 82.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.88 110.352 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 32.9 mm-40 -59.97 -34.44 73.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.54 111.397 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -63.4 -43.44 97.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.8 110.315 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.34 -37.85 65.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 2.32 111.009 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 ' HG2' ' A' ' 16' ' ' LYS . 2.3 mm? -61.88 -40.45 95.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.6 110.306 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.8 -50.24 43.3 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 111.552 -0.619 . . . . 0.41 111.552 174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' HB2' ' OH ' ' A' ' 37' ' ' TYR . 58.6 t30 -54.69 -37.82 66.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.216 0.532 . . . . 1.27 111.493 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.25 -51.88 64.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.754 -0.657 . . . . 0.93 110.457 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.61 . . . . 0.58 110.307 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 59.6 t80 -57.71 -32.21 67.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.893 -1.048 . . . . 0.68 110.327 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.27 -9.21 57.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 1.62 111.529 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -106.92 16.84 23.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 2.31 110.606 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 29.1 mtpp 58.04 20.63 7.04 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.07 -0.513 . . . . 2.39 111.24 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.3 t0 -95.3 67.99 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.144 -1.058 . . . . 1.62 108.144 176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.6 m-85 -71.75 -17.91 62.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.71 111.918 -169.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 20.0 m-20 -72.83 -47.56 45.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.612 -0.514 . . . . 1.93 109.612 173.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -69.8 -35.69 75.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.57 110.624 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.63 -56.15 24.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.502 . . . . 0.39 110.461 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.907 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -61.49 -31.33 71.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.218 -0.901 . . . . 0.81 109.849 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.37 -50.23 72.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.699 -0.682 . . . . 1.41 111.095 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.7 m-70 -74.06 -35.09 64.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.47 110.568 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 2.1 m-85 -61.75 -44.77 96.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 0.48 110.67 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.81 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 32.3 t70 -68.16 -36.89 80.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.119 -0.491 . . . . 1.51 110.072 175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.4 tptm -57.18 -45.68 83.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.334 -0.848 . . . . 1.25 110.273 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.64 -27.7 66.58 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.26 110.912 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 58.7 tttm -79.26 -31.98 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.339 -0.392 . . . . 1.37 110.745 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.42 -29.63 66.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 2.78 109.159 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 13' ' ' GLN . 10.3 mp -79.83 -43.63 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.223 -0.899 . . . . 0.49 110.526 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 37.9 t0 -140.58 97.16 7.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.023 0.44 . . . . 1.11 111.143 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.15 -12.64 15.84 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.847 2.365 . . . . 0.64 113.015 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.9 p -90.84 -14.81 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.135 0.493 . . . . 0.46 110.987 -177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 14.0 t-20 -83.83 92.24 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.438 -0.578 . . . . 2.13 109.438 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.9 ppp? -52.68 -31.7 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.893 -1.049 . . . . 1.05 111.531 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.2 m -62.89 -34.01 76.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.71 111.536 -174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.663 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.4 m-30 -62.33 -46.09 90.27 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.377 -0.601 . . . . 0.44 109.377 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.1 mt -63.55 -44.62 98.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.729 -1.123 . . . . 0.33 111.359 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 74' ' ' ALA . 68.7 p -65.66 -25.0 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.028 0.442 . . . . 0.28 111.246 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 43.8 m-20 -79.41 -34.61 41.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.859 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.81 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 28.4 mt-30 -61.17 -44.65 96.98 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.899 0.857 . . . . 1.34 108.817 173.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.27 -37.58 75.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.906 -1.497 . . . . 0.3 111.042 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.41 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.976 -0.556 . . . . 0.3 110.696 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.95 HG12 ' HD3' ' A' ' 61' ' ' LYS . 61.7 t -66.5 -46.06 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 116.084 -0.507 . . . . 0.33 110.319 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 61.1 m-85 -59.78 -37.67 79.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 0.38 110.357 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.7 t80 -58.65 -43.38 89.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.605 . . . . 0.56 110.355 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -70.38 -36.32 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.73 -0.668 . . . . 1.42 110.723 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.95 ' HD3' HG12 ' A' ' 57' ' ' VAL . 6.3 mtpp -69.37 -15.35 63.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.889 -1.051 . . . . 1.1 112.008 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.72 1.47 60.15 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.783 -0.722 . . . . 0.36 112.007 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -96.85 78.03 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.601 -0.518 . . . . 1.26 109.601 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 83.4 m-85 -70.48 -27.67 64.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.43 110.484 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.94 -50.28 72.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.621 . . . . 2.18 109.811 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 49.9 tptt -67.88 -38.16 82.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.695 0.283 . . . . 0.68 110.928 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 59' ' ' PHE . 26.2 t -54.6 -50.75 67.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.29 110.559 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 64' ' ' TYR . 40.8 ptt85 -71.85 -32.23 67.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.752 -0.379 . . . . 3.39 110.757 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.53 -48.05 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.163 0.506 . . . . 2.08 111.195 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 67.9 mt -78.1 -32.86 50.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.625 . . . . 0.24 112.085 -176.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 95' ' ' ILE . 87.1 m -62.39 -46.96 86.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.83 -0.348 . . . . 1.1 111.555 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 3.3 pt-20 -66.76 -35.2 79.54 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.673 -0.411 . . . . 2.09 110.38 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -49.1 77.14 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.736 -0.468 . . . . 1.23 109.736 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.631 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.04 -40.34 89.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.19 110.46 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 71' ' ' CYS . 57.0 mt -64.63 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.445 -0.343 . . . . 0.23 110.86 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 12.2 mm-40 -61.78 -35.79 79.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.289 0.566 . . . . 2.35 109.862 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 54.7 t -71.78 -43.32 69.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.219 -0.901 . . . . 0.25 111.223 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.41 -35.33 68.77 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.694 . . . . 0.27 111.808 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.09 -40.62 94.85 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.787 -0.82 . . . . 2.63 108.787 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 11.0 tt0 -54.99 -53.88 50.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.376 -1.283 . . . . 1.96 111.781 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -100.65 5.74 43.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.72 -0.673 . . . . 1.35 111.679 -169.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 62.11 49.47 4.46 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.69 -0.687 . . . . 4.67 111.087 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.89 166.58 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.174 -0.921 . . . . 1.6 109.963 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -41.57 108.8 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.457 0.703 . . . . 0.82 111.927 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 21.9 p90 -72.87 -21.89 60.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.224 0.535 . . . . 0.44 110.427 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 71.7 mtm180 -64.17 -45.95 86.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.756 -0.831 . . . . 3.04 108.756 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -58.09 -41.5 83.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.324 -1.307 . . . . 1.46 110.315 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.9 mt -58.45 -41.5 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.617 -0.72 . . . . 0.25 111.354 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.56 -36.76 85.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.24 110.529 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 13.4 mmmm -67.37 -34.68 77.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 1.26 109.411 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.81 -46.23 88.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.23 110.128 172.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 75' ' ' ILE . 24.0 m-85 -58.1 -45.16 87.69 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.477 -0.329 . . . . 0.24 111.381 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.938 -0.574 . . . . 0.26 110.477 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -73.52 -38.27 65.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 1.5 110.386 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -58.53 -54.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.437 -0.579 . . . . 0.28 109.437 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.39 95.28 Favored Glycine 0 N--CA 1.44 -1.047 0 CA-C-N 114.998 -1.001 . . . . 0.23 112.225 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 7.4 t-20 -72.17 -27.37 62.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.81 0.305 . . . . 1.64 110.979 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 m -65.52 -45.7 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.457 -0.572 . . . . 0.94 109.457 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 56.2 m-85 -59.54 -44.26 93.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.413 -0.812 . . . . 0.43 109.672 171.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 61.7 t80 -53.11 -46.3 68.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.944 -1.025 . . . . 0.43 111.022 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -69.17 -33.49 73.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.74 110.937 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 3.8 pt-20 -89.72 6.16 42.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.4 -0.363 . . . . 0.57 111.121 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 76.5 11.9 2.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.691 0.797 . . . . 1.47 111.138 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 102' ' ' GLU . 13.0 tttm -89.92 58.38 4.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.979 -0.555 . . . . 1.89 109.745 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' HB2' HD13 ' A' ' 135' ' ' LEU . 73.7 m-85 -65.23 -31.6 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.001 0.741 . . . . 0.46 113.001 -170.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.21 -36.01 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.345 0.593 . . . . 1.57 110.079 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.483 ' OD2' ' HG2' ' A' ' 104' ' ' LYS . 13.7 m-20 -82.13 -29.4 31.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 0.67 110.164 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.03 -58.96 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.64 -0.709 . . . . 0.22 109.857 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.572 HG23 ' SG ' ' A' ' 128' ' ' CYS . 8.0 mt -57.05 -34.22 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.51 111.071 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -54.02 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.44 110.615 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.433 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 85.1 m-85 -77.5 -20.41 54.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.301 -0.408 . . . . 0.32 111.425 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.8 m-30 -60.04 -55.66 31.18 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.735 -0.386 . . . . 0.32 109.996 172.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' HD23 ' A' ' 116' ' ' LEU . 17.6 t-20 -60.85 -25.97 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.243 0.544 . . . . 1.77 110.731 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.5 mmtm -70.65 -29.78 66.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.25 110.856 175.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.644 ' HB3' HG11 ' A' ' 124' ' ' VAL . 36.1 t -71.41 -42.1 68.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.024 -0.732 . . . . 1.04 109.024 173.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.504 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -59.98 -24.31 64.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.674 -0.694 . . . . 0.38 109.812 173.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -74.98 -31.83 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.326 -0.852 . . . . 0.41 111.692 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -99.99 -49.99 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.824 0.305 . . . . 0.53 111.824 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.7 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.1 t-160 -142.81 96.49 2.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.646 . . . . 0.5 109.637 -176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 116' ' ' LEU . 45.8 ttm105 -66.36 110.73 3.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.987 -1.006 . . . . 2.87 110.936 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.8 p -137.29 146.92 56.07 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 0.62 110.508 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.0 Cg_exo -64.01 -25.09 66.56 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.482 2.788 . . . . 0.76 113.372 -171.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.48 -50.96 65.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.633 0.254 . . . . 2.2 110.676 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -73.06 -32.78 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.372 -0.531 . . . . 0.35 109.934 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.98 -47.41 84.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.969 -0.752 . . . . 0.61 108.969 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -56.68 -48.64 77.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 2.04 110.594 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 8.3 mptt -62.08 -37.72 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.765 -0.652 . . . . 1.48 111.593 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.1 t -66.71 -37.53 84.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.934 -0.575 . . . . 0.91 110.131 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.75 -41.9 64.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.679 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 134' ' ' ILE . 39.7 tp60 -55.86 -56.24 22.93 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.248 -0.887 . . . . 1.72 110.506 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.61 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 0.29 111.783 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 12.2 tt0 -67.98 -47.95 67.15 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.67 -0.412 . . . . 2.04 110.37 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 20.4 ptmt -69.49 -30.29 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 1.9 110.418 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 130' ' ' GLN . 64.6 mt -68.14 -41.48 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.083 0.468 . . . . 0.48 110.791 174.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 105' ' ' TYR . 22.9 tp -61.69 -31.24 71.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.516 . . . . 1.37 110.173 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 54.6 mttm -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 3.36 110.171 176.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.9 -34.11 76.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.339 0.59 . . . . 2.28 109.613 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -69.46 -45.84 68.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.27 -0.877 . . . . 1.75 111.515 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.076 -0.964 . . . . 2.99 111.041 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.636 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.1 tp10 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.169 0.509 . . . . 3.26 110.083 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 2.9 m-20 -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.481 -0.782 . . . . 1.94 111.284 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.636 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 56.2 mttm -59.94 -48.09 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 2.19 111.119 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.4 -39.38 85.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.086 0.47 . . . . 2.83 110.246 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.753 ' HB3' HD23 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -67.16 -28.03 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.888 -0.596 . . . . 2.26 110.211 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -64.59 -34.87 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.46 110.642 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.58 -37.99 86.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 1.98 109.859 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -64.01 -46.13 85.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 2.88 109.91 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 38.6 mm-40 -63.32 -40.43 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.608 . . . . 0.54 111.058 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 17.8 ttpp -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.779 -0.368 . . . . 0.8 110.454 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -66.45 -43.58 85.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.6 -0.273 . . . . 2.32 110.988 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.6 110.642 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -49.31 64.96 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.647 -0.706 . . . . 0.41 111.518 174.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.961 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 4.1 t-20 -62.74 -35.91 81.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.324 0.583 . . . . 1.27 110.707 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.44 -45.43 90.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.412 -0.813 . . . . 0.93 110.654 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.32 -32.91 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.58 110.16 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 77.6 t80 -58.56 -38.53 78.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.996 -1.002 . . . . 0.68 110.249 175.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 96.8 mttt -74.39 -13.61 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 1.62 111.277 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -105.45 11.58 32.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.315 -0.402 . . . . 2.31 110.733 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.54 22.99 12.7 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.197 0.522 . . . . 2.39 111.342 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.1 t0 -95.14 64.25 2.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.451 -1.315 . . . . 1.62 107.451 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' HB3' HG13 ' A' ' 57' ' ' VAL . 83.8 m-85 -64.63 -28.46 69.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.243 -0.89 . . . . 0.71 112.467 -167.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 7.8 m-20 -68.53 -43.04 77.6 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.635 -0.426 . . . . 1.93 110.306 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -69.37 -35.3 75.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.963 -0.562 . . . . 0.57 110.27 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -56.93 14.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.601 . . . . 0.39 110.162 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.942 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.24 -27.96 67.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.162 -0.926 . . . . 0.81 109.907 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.46 -52.29 58.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 1.41 110.562 179.151 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.28 -30.94 60.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.47 110.845 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.961 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 6.1 m-85 -61.38 -50.02 74.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.998 0.428 . . . . 0.48 110.195 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 20.1 t70 -63.35 -38.74 92.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.694 -0.685 . . . . 1.51 110.238 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.587 ' O ' HD13 ' A' ' 43' ' ' LEU . 55.6 tptt -59.76 -42.76 93.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.176 -0.92 . . . . 1.25 110.169 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.26 110.418 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG3' HD22 ' A' ' 47' ' ' ASN . 80.5 tttt -68.88 -29.88 68.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 1.37 110.19 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.13 -33.29 73.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.697 -0.683 . . . . 2.78 109.708 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.4 mp -79.25 -41.06 29.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.133 -0.94 . . . . 0.49 110.907 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HG2' ' A' ' 11' ' ' LYS . 14.9 t70 -138.91 101.08 7.88 Favored Pre-proline 0 C--O 1.218 -0.567 0 C-N-CA 120.824 -0.35 . . . . 1.11 110.804 171.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.1 -14.65 15.01 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.293 2.662 . . . . 0.64 112.519 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 p -86.12 14.85 5.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.09 0.948 . . . . 0.46 110.345 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.509 HD22 ' HG3' ' A' ' 41' ' ' LYS . 5.2 p30 -84.06 138.78 32.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 113.937 -1.483 . . . . 2.13 110.026 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -85.71 -40.86 15.68 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.519 -0.873 . . . . 1.05 110.355 163.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -64.78 -59.24 4.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.274 0.842 . . . . 0.71 113.274 -168.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 1.8 m-30 -49.25 -31.7 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.44 110.983 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 77.0 mt -77.61 -43.86 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.959 -0.564 . . . . 0.33 110.534 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 91' ' ' ALA . 62.1 p -69.26 -28.92 66.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.141 0.496 . . . . 0.28 110.055 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.6 m-20 -66.88 -41.73 86.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 1.59 109.433 175.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 26.2 mt-30 -58.38 -48.95 78.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.142 0.496 . . . . 1.34 109.896 172.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.53 -41.78 73.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.127 -0.942 . . . . 0.3 110.717 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.4 77.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.613 -0.721 . . . . 0.3 110.746 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.942 HG11 ' HB2' ' A' ' 34' ' ' LEU . 61.1 t -64.67 -48.69 83.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 116.308 -0.405 . . . . 0.33 110.541 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 63.8 m-85 -56.59 -38.29 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.696 0.284 . . . . 0.38 110.618 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.41 -45.76 76.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 0.56 109.842 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mm-40 -73.59 -29.46 62.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.508 -0.769 . . . . 1.42 110.747 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HG3' HG12 ' A' ' 57' ' ' VAL . 39.6 mtmt -74.09 -23.09 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.572 -0.74 . . . . 1.1 110.964 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.8 0.37 34.22 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.36 112.328 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 58' ' ' TYR . 8.7 t0 -97.13 84.74 3.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.013 -0.366 . . . . 1.26 110.013 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.64 -16.52 58.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.063 0.459 . . . . 0.43 110.358 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.92 -50.2 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 2.18 110.23 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.1 tptt -62.18 -38.58 89.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.68 110.63 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.6 -47.66 81.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.032 -0.531 . . . . 1.29 109.643 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.632 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 24.7 ttp-105 -59.78 -39.77 86.02 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.354 0.597 . . . . 3.39 110.97 174.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 42.4 tt0 -58.49 -50.47 73.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.275 -0.875 . . . . 2.08 111.278 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 71.0 mt -81.0 -37.95 28.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.157 -0.474 . . . . 0.24 112.208 -170.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 68' ' ' ARG . 6.6 p -57.53 -57.71 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.669 0.248 . . . . 1.1 111.669 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 2.09 110.91 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -62.27 -50.59 71.1 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 173.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.08 -43.8 91.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.723 -0.672 . . . . 0.19 110.877 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 mt -61.76 -43.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.23 110.433 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.84 -48.38 79.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 2.35 109.677 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 t -59.68 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 114.977 -1.01 . . . . 0.25 111.843 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.62 -45.19 78.67 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.816 -0.707 . . . . 0.27 112.428 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 79' ' ' ARG . 26.2 ttt85 -65.53 -23.73 66.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.62 0.724 . . . . 2.63 109.664 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -79.54 -45.65 18.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.958 -1.019 . . . . 1.96 110.542 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -99.51 27.98 4.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.411 -0.813 . . . . 1.35 111.438 -172.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 28.84 9.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.163 0.985 . . . . 4.67 112.799 172.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -75.2 163.43 27.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.693 -0.685 . . . . 1.6 110.625 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 24.0 t70 -50.99 118.57 3.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.482 -0.781 . . . . 0.82 111.938 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 9.8 p90 -78.57 -21.35 48.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.369 -0.378 . . . . 0.44 110.958 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 92.9 mtt180 -64.88 -38.42 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.704 -0.85 . . . . 3.04 108.704 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.436 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 5.7 tp-100 -65.18 -40.98 94.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.195 -1.366 . . . . 1.46 109.96 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 11.7 mt -58.81 -40.66 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.757 -0.656 . . . . 0.25 111.259 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.72 -38.42 90.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.986 0.422 . . . . 0.24 110.603 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 2.6 mmmp? -70.1 -26.81 64.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.741 -0.466 . . . . 1.26 109.741 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.15 -51.99 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.946 -0.57 . . . . 0.23 109.657 170.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 24.1 m-85 -53.05 -42.94 66.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.832 0.708 . . . . 0.24 111.821 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.84 89.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.045 -0.525 . . . . 0.26 110.718 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 72.3 mtt85 -66.57 -40.03 88.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.385 . . . . 1.5 110.449 176.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.7 mt -62.44 -52.19 62.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.126 0.488 . . . . 0.28 109.724 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.29 -36.01 89.75 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.269 -0.878 . . . . 0.23 111.707 178.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 55.8 t30 -75.57 -26.39 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.712 -0.287 . . . . 1.64 110.83 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 m -64.2 -47.41 79.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.154 -0.684 . . . . 0.94 109.154 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.524 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 61.1 m-85 -62.75 -42.45 99.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.131 -0.941 . . . . 0.43 110.255 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.05 -46.08 68.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.43 110.615 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.5 mmmt -70.48 -37.44 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.431 . . . . 0.74 111.095 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.2 pt-20 -83.92 -0.53 51.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.57 111.175 -172.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 78.16 24.96 0.64 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.296 -0.865 . . . . 1.47 111.156 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 49.3 mttp -102.86 66.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.379 -0.6 . . . . 1.89 109.379 171.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.411 ' HB2' HD13 ' A' ' 135' ' ' LEU . 83.1 m-85 -66.64 -28.59 68.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.482 -0.781 . . . . 0.46 112.732 -172.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.61 -42.51 95.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 1.57 110.4 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.09 -28.49 57.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.67 110.357 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.36 -57.17 13.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.699 -0.682 . . . . 0.22 110.33 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.705 HG23 ' SG ' ' A' ' 128' ' ' CYS . 16.6 mt -61.22 -32.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.126 -0.943 . . . . 0.51 111.265 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -54.14 -60.34 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.49 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 93.7 m-85 -76.54 -20.57 56.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.856 -0.611 . . . . 0.32 111.031 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.96 -56.2 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.866 -0.42 . . . . 0.32 109.866 171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' HD23 ' A' ' 116' ' ' LEU . 24.7 t-20 -61.33 -25.41 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.024 0.44 . . . . 1.77 110.871 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.9 mmtm -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 1.25 110.888 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.659 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.4 t -72.25 -43.06 64.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.873 -0.788 . . . . 1.04 108.873 173.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.5 mm? -58.32 -29.3 65.8 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.38 109.765 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -65.42 -52.0 56.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.235 -0.893 . . . . 0.41 111.23 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -81.3 -50.52 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.362 . . . . 0.53 111.8 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.69 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.8 t-160 -144.09 97.34 3.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.454 0.645 . . . . 0.5 109.417 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 120' ' ' ARG . 17.8 ttp180 -60.72 112.34 1.98 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.624 -1.171 . . . . 2.87 111.232 -177.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 16.1 p -129.27 134.5 26.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.62 110.944 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.539 ' O ' ' HB3' ' A' ' 126' ' ' LYS . 11.1 Cg_endo -51.72 -31.87 43.17 Favored 'Trans proline' 0 C--N 1.337 -0.072 0 C-N-CA 124.718 3.612 . . . . 0.76 113.684 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.39 -47.31 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 111.815 0.302 . . . . 2.2 111.815 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 115' ' ' SER . 16.3 t -67.22 -31.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.755 -0.778 . . . . 0.35 109.6 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.73 -46.78 80.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.202 -0.666 . . . . 0.61 109.202 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.04 -36.07 80.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.356 -0.838 . . . . 2.04 110.27 177.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -76.82 -35.49 57.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.023 -0.989 . . . . 1.48 111.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' HG23 ' A' ' 109' ' ' ILE . 37.6 t -67.54 -45.28 76.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.924 -0.58 . . . . 0.91 110.582 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.85 -25.93 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 1.38 110.691 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 134' ' ' ILE . 8.3 tt0 -67.43 -44.8 77.86 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.177 -0.465 . . . . 1.72 110.319 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.2 88.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.171 0.434 . . . . 0.29 112.171 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.46 -35.28 77.35 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.479 -0.488 . . . . 2.04 111.229 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 15.1 ptmm? -74.57 -39.2 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.415 -0.514 . . . . 1.9 109.932 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 27.7 mt -58.94 -50.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 116.333 -0.394 . . . . 0.48 110.721 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 24.9 tp -62.51 -37.51 86.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.269 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.4 -35.12 78.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 3.36 110.387 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 39.8 mt-10 -73.96 -26.59 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 2.28 110.672 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 85.8 mm-40 -81.47 -19.66 41.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 1.75 111.352 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 38.0 mt-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.592 -0.718 . . . . 2.99 110.576 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 12.6 pt-20 . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.037 -0.357 . . . . 3.26 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 91.1 m-20 -84.05 -22.69 31.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 1.94 110.8 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.05 -53.66 55.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 2.19 111.508 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -67.98 -34.27 76.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.0 0.428 . . . . 2.83 110.302 -178.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.755 ' HB3' HD23 ' A' ' 43' ' ' LEU . 18.4 tt0 -65.53 -34.82 79.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.041 -0.527 . . . . 2.26 110.356 176.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -58.4 -35.66 72.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.937 -0.574 . . . . 0.46 110.382 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.3 tm? -63.4 -41.28 98.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.718 -0.674 . . . . 1.98 109.328 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' HD23 ' A' ' 20' ' ' LEU . 33.8 ttpt -67.38 -42.58 83.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 2.88 110.33 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 24.0 mm-40 -61.14 -37.59 83.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.407 -0.36 . . . . 0.54 110.917 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 32.7 ttpt -63.46 -40.59 97.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.916 0.389 . . . . 0.8 110.122 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 64.4 mt-10 -70.19 -44.29 69.0 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.086 -0.507 . . . . 2.32 110.928 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 ' HG2' ' A' ' 16' ' ' LYS . 1.9 mm? -60.38 -39.72 88.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.431 . . . . 0.6 110.717 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.19 -52.9 36.7 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.741 -0.742 . . . . 0.41 111.52 174.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.65 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 16.5 t-20 -56.98 -34.34 68.0 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.267 0.556 . . . . 1.27 111.647 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.42 -46.24 77.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.784 -0.643 . . . . 0.93 110.904 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -68.31 -34.28 75.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.668 -0.696 . . . . 0.58 110.013 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 69.1 t80 -55.38 -39.36 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.679 -1.146 . . . . 0.68 110.606 175.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 96.7 mttt -70.6 -27.25 63.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.304 -0.862 . . . . 1.62 111.786 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -101.13 24.75 8.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.508 0.194 . . . . 2.31 111.462 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 60.14 16.78 6.28 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.526 0.565 . . . . 2.39 112.526 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 7.4 t0 -91.46 64.29 5.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 1.62 107.947 172.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.28 -24.96 67.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.423 -0.808 . . . . 0.71 111.493 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 14.2 m-20 -66.78 -52.64 41.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.995 0.426 . . . . 1.93 109.872 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.5 m -66.11 -33.88 76.79 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.987 -0.552 . . . . 0.57 110.693 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.89 -56.51 20.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.921 -0.582 . . . . 0.39 110.57 176.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.712 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.79 -28.82 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 0.81 109.934 -179.148 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.72 -51.78 66.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.752 -0.658 . . . . 1.41 111.177 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.4 m-70 -72.52 -32.47 66.16 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.47 110.469 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.668 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 2.1 m-85 -62.87 -47.69 82.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.097 -0.501 . . . . 0.48 110.777 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.36 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.972 0.415 . . . . 1.51 110.289 172.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.2 tptm -61.46 -46.45 90.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 1.25 110.501 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.9 72.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.415 -0.357 . . . . 0.26 110.785 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 61.4 tttm -68.55 -32.09 71.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 1.37 110.605 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -74.38 -24.01 59.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 2.78 110.424 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -85.37 -44.41 12.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.708 -0.678 . . . . 0.49 110.498 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 12.7 t70 -142.63 96.29 6.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 1.11 110.72 171.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.78 -17.09 23.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 123.406 2.737 . . . . 0.64 113.02 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p -82.22 -17.67 45.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.055 -0.521 . . . . 0.46 111.123 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.509 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 10.9 t-20 -80.91 89.94 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 2.13 109.461 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.795 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.7 ptm -53.58 -27.9 29.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.034 -0.985 . . . . 1.05 111.638 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 ' HB ' ' OD1' ' A' ' 47' ' ' ASN . 23.3 m -55.03 -40.09 69.84 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.088 -0.505 . . . . 0.71 111.435 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.661 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.4 m-85 -62.78 -48.34 79.56 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.359 -0.608 . . . . 0.44 109.359 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.6 mt -62.4 -42.08 94.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.891 -1.049 . . . . 0.33 111.362 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.6 p -67.64 -26.62 66.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.04 0.448 . . . . 0.28 110.756 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.609 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 9.2 m120 -83.58 -32.61 25.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.961 -0.563 . . . . 1.59 110.321 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.668 ' HG2' ' HB3' ' A' ' 37' ' ' TYR . 16.4 mt-30 -56.7 -47.96 78.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.274 -1.01 . . . . 1.34 108.274 169.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.2 -32.62 64.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.109 -1.405 . . . . 0.3 111.643 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.8 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.3 111.029 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 34' ' ' LEU . 25.7 t -64.66 -42.13 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 C-N-CA 120.649 -0.421 . . . . 0.33 110.49 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.643 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 93.4 m-85 -57.79 -32.38 67.48 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.424 -0.353 . . . . 0.38 110.542 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 24.9 t80 -61.76 -42.76 99.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.569 0.7 . . . . 0.56 109.372 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.86 -28.16 44.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 1.42 110.876 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HG3' HG12 ' A' ' 57' ' ' VAL . 3.8 mtmp? -70.88 -25.99 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.1 111.042 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.4 -7.63 40.12 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.755 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.56 61.77 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.953 0.501 . . . . 1.26 110.791 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 77.2 m-85 -60.24 -33.47 72.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.267 0.469 . . . . 0.43 112.267 -172.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -25.27 63.19 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.535 -0.466 . . . . 2.18 111.246 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -77.29 -34.57 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.367 -0.605 . . . . 0.68 109.367 176.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.9 m -59.97 -37.29 79.2 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.405 -0.961 . . . . 1.29 108.405 176.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.904 ' HG2' HG23 ' A' ' 95' ' ' ILE . 3.9 tmm_? -67.84 -52.12 40.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.97 -1.014 . . . . 3.39 109.752 172.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.29 -45.17 62.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.132 -0.94 . . . . 2.08 111.812 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 27.2 mt -79.24 -37.26 38.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.585 0.587 . . . . 0.24 112.585 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -65.26 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.37 -0.532 . . . . 1.1 111.524 -177.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' ' 95' ' ' ILE . 3.5 mt-10 -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.726 0.298 . . . . 2.09 110.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.2 tpmt? -65.55 -49.25 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 1.23 109.784 173.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.42 -40.0 85.27 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.514 -0.766 . . . . 0.19 110.67 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.795 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.1 mt -65.03 -42.13 93.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.469 -0.332 . . . . 0.23 110.717 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.2 -40.79 86.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.283 0.563 . . . . 2.35 109.626 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.1 t -68.88 -47.07 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.141 -0.936 . . . . 0.25 111.387 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.24 -47.94 61.44 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.275 -0.488 . . . . 0.27 112.554 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -66.89 -20.22 65.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.229 0.538 . . . . 2.63 110.058 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.13 -51.68 9.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.648 . . . . 1.96 110.707 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.8 7.77 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.372 -0.831 . . . . 1.35 111.59 -173.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 64.32 41.86 5.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.77 -0.65 . . . . 4.67 110.69 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 7.2 tp10 -87.96 167.29 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 1.6 110.522 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.24 115.4 1.42 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.314 0.578 . . . . 0.82 112.544 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HA ' HD12 ' A' ' 88' ' ' ILE . 54.3 p90 -71.42 -22.29 61.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.44 110.971 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HB3' ' ND1' ' A' ' 119' ' ' HIS . 78.4 mtt180 -72.55 -35.9 68.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.935 -0.765 . . . . 3.04 108.935 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.37 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.583 -1.189 . . . . 1.46 109.487 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 48' ' ' MET . 25.9 mt -60.39 -43.01 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.428 -0.805 . . . . 0.25 110.976 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.1 -37.78 88.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.624 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -31.08 69.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.26 110.299 175.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.35 -45.39 87.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.633 -0.506 . . . . 0.23 109.633 172.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.2 m-85 -61.14 -42.69 98.99 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.24 111.31 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.45 77.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.109 -0.496 . . . . 0.26 110.834 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -73.32 -35.25 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.505 -0.316 . . . . 1.5 110.356 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.904 HG23 ' HG2' ' A' ' 68' ' ' ARG . 66.2 mt -62.86 -52.35 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.167 0.508 . . . . 0.28 109.69 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.39 -34.54 81.22 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.454 -0.879 . . . . 0.23 111.197 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.24 -38.48 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.865 -0.168 . . . . 1.64 111.288 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 p -63.0 -38.58 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.94 110.03 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' OH ' ' HG3' ' A' ' 68' ' ' ARG . 49.3 m-85 -70.91 -42.9 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.43 110.375 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -55.55 -38.23 69.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.443 -0.798 . . . . 0.43 110.421 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.6 tppt? -80.7 -21.39 41.28 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.255 -0.884 . . . . 0.74 111.822 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.0 pt-20 -102.14 2.86 37.88 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.951 -0.3 . . . . 0.57 111.431 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 41.5 mt-10 78.97 14.35 1.15 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.68 0.792 . . . . 1.47 112.545 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.8 mttp -92.53 59.66 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.443 0.64 . . . . 1.89 109.92 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.573 ' HB2' HD13 ' A' ' 135' ' ' LEU . 87.1 m-85 -62.96 -26.48 68.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.814 . . . . 0.46 112.177 -174.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -59.24 -50.36 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.624 -0.51 . . . . 1.57 109.624 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.22 -33.66 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.577 -0.738 . . . . 0.67 110.762 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -52.14 -57.02 10.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.22 110.802 178.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.625 HG23 ' SG ' ' A' ' 128' ' ' CYS . 17.6 mt -63.14 -33.95 63.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.51 111.562 -177.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -55.85 -53.78 52.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.44 110.331 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 97.0 m-85 -77.45 -22.56 51.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.959 -0.564 . . . . 0.32 111.07 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.9 m-30 -61.82 -52.65 63.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.791 -0.448 . . . . 0.32 109.791 171.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -62.39 -23.77 67.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 1.77 110.716 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 17.0 mmtt -71.58 -32.1 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 1.25 110.51 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.666 ' HB3' HG11 ' A' ' 124' ' ' VAL . 32.4 t -70.68 -43.92 68.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.957 -0.757 . . . . 1.04 108.957 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.498 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.5 mm? -58.12 -28.63 64.83 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.014 -0.539 . . . . 0.38 109.862 173.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.21 -49.23 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.328 -0.851 . . . . 0.41 111.278 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -83.69 -49.4 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.011 0.375 . . . . 0.53 112.011 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.739 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.7 t-160 -145.17 97.4 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.273 0.559 . . . . 0.5 109.997 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.498 ' HG3' HD12 ' A' ' 116' ' ' LEU . 34.4 ttp180 -66.79 118.89 10.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.393 -0.821 . . . . 2.87 110.916 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 p -140.17 136.31 16.91 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 0.62 110.849 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.97 -31.81 16.6 Favored 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 124.977 3.785 . . . . 0.76 114.005 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -69.59 -47.83 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.804 0.298 . . . . 2.2 111.804 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 115' ' ' SER . 4.5 t -70.98 -31.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.086 -0.645 . . . . 0.35 109.773 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.52 -45.41 87.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.002 -0.74 . . . . 0.61 109.002 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -55.57 -50.25 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.696 -1.138 . . . . 2.04 110.471 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.8 mptt -61.25 -40.97 96.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 1.48 111.707 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.625 ' SG ' HG23 ' A' ' 109' ' ' ILE . 40.5 t -63.02 -50.37 70.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.845 -0.616 . . . . 0.91 110.451 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.63 -35.4 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.38 110.342 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.5 tp60 -59.62 -49.39 77.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.719 -0.673 . . . . 1.72 110.416 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.12 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.108 -0.496 . . . . 0.29 112.267 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.6 pt-20 -68.97 -42.77 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.358 -0.537 . . . . 2.04 111.167 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -65.88 -34.79 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.53 -0.468 . . . . 1.9 110.111 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 48.4 mt -65.35 -52.5 51.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.48 110.722 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 105' ' ' TYR . 21.2 tp -59.98 -37.26 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.663 -0.698 . . . . 1.37 110.764 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 136' ' ' LYS . 72.3 mmtt -73.61 -15.17 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 3.36 111.566 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 133' ' ' LYS . 69.5 mm-40 -79.95 -23.99 41.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.249 0.547 . . . . 2.28 109.902 171.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.527 ' NE2' HD12 ' A' ' 135' ' ' LEU . 19.7 mt-30 -81.44 -50.5 9.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 1.75 111.041 -175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 5.3 pt-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.337 -0.839 . . . . 2.99 111.224 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.198 0.523 . . . . 3.26 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 95.1 m-20 -63.0 -20.99 65.83 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.363 -0.835 . . . . 1.94 112.708 -174.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -53.87 -44.83 70.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.797 0.332 . . . . 2.19 111.2 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.49 -42.69 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 2.83 110.597 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' HB3' HD23 ' A' ' 43' ' ' LEU . 44.1 tt0 -69.38 -29.22 66.94 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.989 -0.551 . . . . 2.26 110.241 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.0 -33.5 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.46 110.282 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.2 mt -64.59 -41.07 96.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.052 -0.351 . . . . 1.98 110.052 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -64.9 -43.47 92.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 2.88 110.017 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 54.3 mm-40 -63.67 -38.48 91.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.54 110.7 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.3 ttpp -61.62 -40.29 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 0.8 110.136 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -36.22 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.262 -0.426 . . . . 2.32 111.506 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 1.3 mm? -65.85 -39.09 90.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.028 0.442 . . . . 0.6 110.167 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -69.32 -48.56 44.65 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 111.357 -0.697 . . . . 0.41 111.357 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.0 t-20 -57.79 -37.62 74.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 1.27 111.038 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.56 -49.59 74.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.736 -0.666 . . . . 0.93 110.487 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.95 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.648 -0.706 . . . . 0.58 110.092 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 62.2 t80 -58.8 -41.5 86.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.252 -0.886 . . . . 0.68 110.082 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.62 -20.81 58.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 1.62 110.938 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -94.19 4.79 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.929 -0.578 . . . . 2.31 110.382 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp 64.2 17.31 10.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.598 -0.728 . . . . 2.39 111.71 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 1.0 OUTLIER -89.6 64.0 6.45 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.774 -0.824 . . . . 1.62 108.774 172.492 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 81.8 m-85 -64.53 -34.06 77.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.71 112.799 -169.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 7.0 m-20 -64.1 -43.94 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.213 0.53 . . . . 1.93 109.624 176.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 75.8 m -69.97 -35.72 74.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.509 -0.769 . . . . 0.57 110.504 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.74 -54.47 45.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.39 110.281 176.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.834 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -62.69 -30.54 71.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.273 -0.876 . . . . 0.81 110.074 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.4 tppt? -60.22 -48.27 82.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.685 -0.689 . . . . 1.41 110.673 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.1 m-70 -79.05 -36.01 41.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.101 -0.24 . . . . 0.47 110.804 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 4.2 m-85 -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.48 110.322 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 22.0 t70 -67.94 -32.93 73.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.714 -0.675 . . . . 1.51 110.139 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HE2' HD11 ' A' ' 43' ' ' LEU . 24.2 tptm -61.34 -44.1 97.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.215 -0.902 . . . . 1.25 109.979 173.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.57 77.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.541 . . . . 0.26 110.586 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 62.2 tttm -69.54 -28.57 66.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 1.37 110.412 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.77 -41.29 60.33 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.838 -0.801 . . . . 2.78 108.838 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.2 mp -65.92 -50.32 64.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.535 -0.757 . . . . 0.49 110.718 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 47' ' ' ASN . 34.4 t0 -139.88 99.96 7.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 121.441 0.639 . . . . 1.11 111.835 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.54 -14.33 14.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.375 2.717 . . . . 0.64 113.186 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -85.89 -9.86 56.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.368 0.604 . . . . 0.46 110.633 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.513 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 14.7 t-20 -88.44 90.58 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.135 -0.691 . . . . 2.13 109.135 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.4 ptm -55.01 -25.8 32.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.166 -0.924 . . . . 1.05 111.762 -174.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.2 m -60.95 -30.4 70.21 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.934 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.4 m-85 -70.36 -43.11 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.517 0.675 . . . . 0.44 109.234 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 63.4 mt -66.34 -41.69 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.517 -1.22 . . . . 0.33 111.352 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -69.11 -28.44 66.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.981 0.42 . . . . 0.28 110.992 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 17.5 m-80 -81.7 -32.25 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.196 -0.457 . . . . 1.59 110.41 177.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.629 ' OE1' ' HA ' ' A' ' 51' ' ' ILE . 46.5 mt-30 -55.76 -50.44 70.4 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.837 0.827 . . . . 1.34 109.404 168.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.64 -39.16 70.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.125 -1.398 . . . . 0.3 111.014 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -28.61 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.798 -0.637 . . . . 0.3 111.17 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 34' ' ' LEU . 46.8 t -71.08 -47.82 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.518 -0.31 . . . . 0.33 110.217 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.614 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 79.0 m-85 -55.76 -36.78 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.38 110.367 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.6 -44.34 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.56 110.523 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 12.5 mm-40 -78.95 -30.82 44.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 1.42 111.307 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -66.41 -21.52 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.85 -0.614 . . . . 1.1 110.876 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.58 49.08 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.007 -0.837 . . . . 0.36 111.007 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -93.86 67.34 3.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.975 -0.612 . . . . 1.26 110.137 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -65.09 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.43 111.209 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.55 -32.0 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.432 -0.349 . . . . 2.18 110.798 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.614 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -73.82 -35.14 64.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.71 -0.478 . . . . 0.68 109.71 176.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 43.5 t -58.21 -40.87 82.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.348 -0.612 . . . . 1.29 109.348 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.5 tmt_? -66.83 -47.2 72.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 3.39 110.349 173.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -50.74 -52.0 44.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.719 -0.673 . . . . 2.08 111.032 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 26.7 mt -73.41 -43.29 60.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.632 -0.713 . . . . 0.24 112.41 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.1 m -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.445 -0.502 . . . . 1.1 111.373 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.98 -34.65 78.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 2.09 110.78 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -65.46 -47.87 74.65 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.535 -0.543 . . . . 1.23 109.535 175.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.68 -42.14 78.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.52 -0.764 . . . . 0.19 110.3 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.678 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 50.2 mt -63.52 -43.37 98.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.958 -0.565 . . . . 0.23 110.904 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.72 -36.17 78.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.408 0.623 . . . . 2.35 109.829 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.75 -43.99 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.19 -0.913 . . . . 0.25 111.491 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.09 -44.38 45.13 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.996 -0.621 . . . . 0.27 112.416 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -65.8 -23.3 66.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.718 0.771 . . . . 2.63 109.571 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.19 -53.22 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.001 -1.0 . . . . 1.96 110.302 174.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.79 28.89 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.453 -0.794 . . . . 1.35 111.25 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 82' ' ' ARG . 1.2 ppt_? 50.53 37.12 15.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.745 0.818 . . . . 4.67 112.803 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.4 tp10 -83.0 166.39 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.514 -0.766 . . . . 1.6 110.261 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 29.4 t70 -50.14 110.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.56 -0.745 . . . . 0.82 112.21 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 23.1 p90 -68.67 -20.75 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.44 110.82 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 86.3 mtm180 -65.5 -41.29 93.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.09 -0.707 . . . . 3.04 109.09 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.78 98.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.627 -1.169 . . . . 1.46 109.532 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.5 mt -57.69 -41.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.58 -0.737 . . . . 0.25 111.49 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.704 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.42 -36.05 82.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.381 -0.372 . . . . 0.24 110.406 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.0 mmmt -67.68 -34.89 77.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.442 -0.577 . . . . 1.26 109.442 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.68 -48.0 81.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.23 109.959 173.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.1 m-85 -58.87 -45.17 90.8 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.24 111.241 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.33 86.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.907 -0.588 . . . . 0.26 110.677 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 34.1 ttm180 -74.25 -35.56 63.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 1.5 110.303 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.8 mt -59.59 -53.22 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.683 -0.488 . . . . 0.28 109.683 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.85 -35.49 91.4 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-N 115.475 -0.784 . . . . 0.23 111.78 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.596 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.0 t30 -66.73 -33.23 75.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.848 0.356 . . . . 1.64 110.649 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -62.81 -49.91 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.94 109.964 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.9 m-85 -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.43 110.328 176.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -61.07 -31.24 70.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.148 -0.933 . . . . 0.43 110.734 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -83.15 -35.47 25.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.74 110.849 177.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -88.66 0.29 56.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.57 111.431 -171.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 47.5 mt-10 76.98 23.84 0.93 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.664 0.786 . . . . 1.47 112.259 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 26.0 mtpp -100.68 56.66 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.718 . . . . 1.89 109.183 172.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.553 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 76.9 m-85 -61.19 -31.47 71.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.46 112.434 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -56.64 -43.45 80.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.437 0.637 . . . . 1.57 109.714 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.34 -35.53 61.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.269 -0.878 . . . . 0.67 110.223 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.66 -56.85 14.78 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.613 -0.721 . . . . 0.22 110.805 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 112' ' ' TYR . 17.3 mt -62.6 -34.42 65.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.51 111.274 -177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -55.62 -55.07 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.44 110.49 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 96.3 m-85 -77.19 -20.88 54.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.068 -0.515 . . . . 0.32 110.989 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 1.003 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m-30 -62.41 -51.0 69.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.773 -0.454 . . . . 0.32 109.773 170.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 116' ' ' LEU . 92.1 m-20 -62.23 -28.66 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.51 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 18.6 mmtt -69.68 -30.46 68.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.779 -0.646 . . . . 1.25 110.468 174.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.1 t -72.75 -42.65 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.106 -0.702 . . . . 1.04 109.106 174.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD21 ' SG ' ' A' ' 128' ' ' CYS . 1.2 mm? -56.93 -32.01 65.53 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 121.338 0.59 . . . . 0.38 109.523 171.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -64.36 -44.95 89.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.06 -0.973 . . . . 0.41 111.69 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 88' ' ' ILE . 27.4 mm-40 -89.52 -50.37 6.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.968 0.359 . . . . 0.53 111.968 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.704 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.0 t-160 -143.76 99.09 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.396 0.617 . . . . 0.5 109.83 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.37 123.66 18.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.783 -1.099 . . . . 2.87 110.72 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.5 p -137.71 147.37 56.82 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.65 -0.705 . . . . 0.62 110.277 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.9 Cg_exo -71.41 -25.94 20.96 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.033 2.489 . . . . 0.76 111.022 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.49 -52.92 40.9 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.104 -0.953 . . . . 2.2 111.045 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.747 HG12 ' SG ' ' A' ' 128' ' ' CYS . 49.1 t -65.33 -47.65 86.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 119.954 -0.699 . . . . 0.35 109.185 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.46 -46.42 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.206 0.527 . . . . 0.61 110.179 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -56.65 -38.61 72.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 2.04 110.853 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -73.69 -40.67 63.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.035 -0.984 . . . . 1.48 111.862 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 16.8 m -62.11 -45.1 94.99 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.421 -0.585 . . . . 0.91 109.421 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 96.8 mt-30 -70.55 -22.88 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.279 -0.873 . . . . 1.38 110.661 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.626 ' OE1' ' HD2' ' A' ' 133' ' ' LYS . 7.4 tp60 -76.94 -45.51 27.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.99 0.424 . . . . 1.72 110.49 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.78 79.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.406 -0.361 . . . . 0.29 111.687 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -74.68 -32.39 62.19 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.838 -0.345 . . . . 2.04 111.739 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.626 ' HD2' ' OE1' ' A' ' 130' ' ' GLN . 5.3 ptpp? -76.48 -35.78 58.23 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.055 -0.403 . . . . 1.9 110.215 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 57.4 mt -59.85 -41.8 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.48 110.065 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -69.91 -18.89 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.185 -0.461 . . . . 1.37 111.603 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 62.1 mttp -72.61 -30.03 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.511 . . . . 3.36 109.685 173.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -81.51 -41.11 22.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.657 -0.701 . . . . 2.28 110.227 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 138' ' ' GLN . 17.4 mm-40 -80.02 -63.8 1.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.73 -0.668 . . . . 1.75 111.606 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.249 1.079 0 O-C-N 123.911 0.757 . . . . 2.99 110.904 -177.663 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.323 -0.251 . . . . 3.26 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.36 -22.36 28.47 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 122.312 -0.242 . . . . 1.94 111.038 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.67 -49.36 77.85 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.32 0.489 . . . . 2.19 112.32 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.27 -37.84 88.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 2.83 110.679 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.654 ' HB3' HD23 ' A' ' 43' ' ' LEU . 27.6 tt0 -67.15 -31.51 71.99 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.239 -0.437 . . . . 2.26 110.07 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.27 -35.76 81.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.46 110.314 177.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 51.9 mt -63.26 -43.42 98.02 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.886 -0.413 . . . . 1.98 109.886 174.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 2.88 110.374 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 55.6 mm-40 -63.94 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.539 -0.3 . . . . 0.54 110.868 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 20.7 ttpp -65.51 -38.55 90.02 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.867 -0.333 . . . . 0.8 110.394 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 53.3 mt-10 -66.93 -42.29 85.56 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.638 0.256 . . . . 2.32 110.346 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 3.1 mm? -62.09 -41.78 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.685 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -50.13 60.54 Favored Glycine 0 C--O 1.223 -0.567 0 CA-C-N 115.788 -0.642 . . . . 0.41 111.687 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 21.8 t-20 -64.82 -35.38 80.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.573 0.225 . . . . 1.27 111.335 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HD3' ' A' ' 27' ' ' LYS . 10.2 t70 -60.14 -49.89 75.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 0.93 109.876 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.21 89.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.58 109.791 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 83.3 t80 -56.21 -40.84 74.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.855 -1.066 . . . . 0.68 110.706 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 36.1 ttmt -68.17 -24.79 65.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.444 -1.253 . . . . 1.62 110.347 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -97.9 11.55 37.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 2.31 109.596 175.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 55.91 27.72 11.5 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.15 -0.932 . . . . 2.39 112.599 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.44 74.61 10.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.958 -1.127 . . . . 1.62 107.958 170.304 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -58.89 -48.55 81.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.023 -0.99 . . . . 0.71 113.038 -165.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m-20 -64.37 -38.86 92.54 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.453 -0.499 . . . . 1.93 111.095 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.9 m -65.9 -41.47 91.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.074 0.464 . . . . 0.57 110.604 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -59.95 -57.12 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.39 110.344 176.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.12 -24.47 66.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.815 -1.084 . . . . 0.81 110.455 -178.419 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -66.32 -49.02 68.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.541 -0.754 . . . . 1.41 110.716 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -78.96 -31.26 44.92 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.864 -0.334 . . . . 0.47 110.312 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.6 m-85 -59.88 -38.77 83.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.376 -0.601 . . . . 0.48 109.376 172.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 12.6 t70 -66.63 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.147 -0.933 . . . . 1.51 110.136 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 43' ' ' LEU . 47.5 tptt -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.219 -0.901 . . . . 1.25 110.223 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.03 98.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.416 . . . . 0.26 110.412 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 1.37 110.693 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.05 -44.95 44.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.727 -0.67 . . . . 2.78 110.053 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.654 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.8 mp -62.8 -50.57 70.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.49 110.929 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -140.86 99.09 6.82 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 120.08 -0.648 . . . . 1.11 111.741 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 77' ' ' VAL . 64.2 Cg_endo -70.71 -24.52 25.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.757 2.305 . . . . 0.64 112.466 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.9 p -73.38 -10.91 60.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.46 111.683 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 15.7 t-20 -87.48 93.98 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.03 -0.73 . . . . 2.13 109.03 171.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.9 ptm -56.67 -27.93 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.535 -0.757 . . . . 1.05 111.999 -171.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.8 m -61.12 -29.4 69.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.979 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 17.9 m-85 -69.34 -33.59 73.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.743 0.782 . . . . 0.44 109.373 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.2 mt -80.35 -38.71 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 114.621 -1.172 . . . . 0.33 110.886 -175.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.6 p -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.28 110.29 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.9 m-20 -67.87 -33.1 74.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 1.59 110.265 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 5.5 mt-30 -59.07 -52.76 64.37 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.482 0.658 . . . . 1.34 110.005 170.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.76 -31.1 64.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 0.3 111.56 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.3 86.05 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.413 -0.358 . . . . 0.3 110.68 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.793 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 43.5 t -64.36 -39.46 85.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.571 -0.452 . . . . 0.33 111.116 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 72.0 m-85 -57.39 -29.46 64.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.38 110.16 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.829 -0.623 . . . . 0.56 109.772 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.793 ' OE1' ' HA ' ' A' ' 57' ' ' VAL . 1.7 mp0 -78.65 -35.57 45.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.493 0.663 . . . . 1.42 109.844 172.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.4 mtmt -69.9 -20.88 63.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.245 -0.889 . . . . 1.1 111.639 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.25 61.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.945 -0.645 . . . . 0.36 111.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.68 62.49 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.393 0.277 . . . . 1.26 110.786 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.754 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 71.4 m-85 -59.13 -30.68 68.32 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.179 0.437 . . . . 0.43 112.179 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.03 -35.03 72.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.953 0.406 . . . . 2.18 110.771 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.0 tptt -83.44 -36.06 24.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.68 111.153 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -58.72 -44.74 90.48 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.977 -0.749 . . . . 1.29 108.977 177.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.9 ttm180 -59.03 -51.32 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.886 -1.052 . . . . 3.39 110.124 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.23 -53.43 35.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.013 -0.994 . . . . 2.08 111.809 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 65.5 mt -74.21 -30.96 62.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.772 0.656 . . . . 0.24 112.772 -172.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.566 ' O ' HG13 ' A' ' 75' ' ' ILE . 93.3 m -66.71 -48.7 68.41 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.189 -0.604 . . . . 1.1 111.446 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 3.2 pt-20 -69.97 -28.68 65.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.614 -0.434 . . . . 2.09 110.718 178.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -64.71 -49.67 69.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.476 -0.565 . . . . 1.23 109.476 172.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.02 -39.41 85.77 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.19 110.421 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.707 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 47.7 mt -64.87 -41.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.08 -0.248 . . . . 0.23 110.868 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.0 -44.68 94.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.346 0.593 . . . . 2.35 109.596 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 45' ' ' PRO . 54.6 t -64.68 -45.58 94.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.869 -1.06 . . . . 0.25 111.29 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 83' ' ' GLU . . . -68.61 -39.34 86.61 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.095 -0.502 . . . . 0.27 112.105 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.89 -26.39 68.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.632 0.729 . . . . 2.63 109.157 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 35.2 tt0 -77.92 -48.57 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.779 -1.101 . . . . 1.96 110.981 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -88.68 3.92 49.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.483 -0.78 . . . . 1.35 112.036 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 64.71 48.14 2.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.409 0.623 . . . . 4.67 110.797 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 78' ' ' GLY . 6.7 mm-40 -80.34 168.59 18.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.168 -0.924 . . . . 1.6 111.761 -178.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 31.3 t70 -57.29 116.14 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.624 -0.716 . . . . 0.82 111.066 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.6 p90 -73.02 -20.94 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.44 110.96 -176.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 53.9 mtm180 -67.04 -44.83 79.2 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.622 -0.881 . . . . 3.04 108.622 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -61.3 -35.68 77.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.018 -1.447 . . . . 1.46 110.018 172.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.575 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.6 mt -64.11 -40.82 90.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.605 -0.725 . . . . 0.25 111.316 175.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.34 -38.24 88.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.24 110.228 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.5 mmmm -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.16 -0.473 . . . . 1.26 109.825 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.597 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.82 -48.37 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.23 109.947 173.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 30.4 m-85 -56.43 -45.69 80.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.272 -0.422 . . . . 0.24 111.147 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.03 -35.61 80.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.719 -0.673 . . . . 0.26 110.878 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -77.01 -32.2 56.98 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.989 -0.284 . . . . 1.5 110.503 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 91' ' ' ALA . 86.0 mt -58.57 -53.67 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.987 -0.746 . . . . 0.28 108.987 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.37 -34.18 89.22 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.204 -0.907 . . . . 0.23 112.123 178.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 t30 -68.96 -34.37 75.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.812 0.339 . . . . 1.64 110.446 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.46 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 50.6 m -64.49 -48.25 75.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 45.7 m-85 -59.11 -41.71 88.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.775 -0.648 . . . . 0.43 110.239 174.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.79 -40.26 75.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.1 -0.955 . . . . 0.43 110.811 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.2 mmmt -73.79 -35.94 64.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.288 -0.415 . . . . 0.74 110.974 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -85.81 -2.41 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.57 110.631 -174.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 76.13 21.93 1.44 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.946 -1.025 . . . . 1.47 112.178 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.1 mttp -93.49 62.42 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 1.89 109.512 170.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.507 ' HB2' HD13 ' A' ' 135' ' ' LEU . 76.7 m-85 -65.63 -26.91 68.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.821 -0.627 . . . . 0.46 112.002 -173.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.1 -50.5 72.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 1.57 109.612 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.65 -34.41 69.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.259 -0.882 . . . . 0.67 110.445 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.47 -57.79 9.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.868 -0.605 . . . . 0.22 111.126 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' SG ' ' A' ' 128' ' ' CYS . 20.2 mt -62.31 -34.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.51 111.733 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -55.31 -56.16 23.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.44 110.29 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.8 m-85 -77.03 -20.48 55.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.985 -0.552 . . . . 0.32 111.158 -176.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -61.31 -55.26 33.78 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.885 -0.413 . . . . 0.32 109.885 171.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -61.17 -27.39 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.246 -0.434 . . . . 1.77 110.443 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 20.8 mmtt -67.36 -31.8 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 1.25 110.883 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.659 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.7 t -71.83 -45.63 60.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 1.04 109.285 174.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.537 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.9 mm? -55.34 -34.0 63.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.458 0.647 . . . . 0.38 109.477 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -62.22 -50.08 73.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 0.41 111.279 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -80.93 -51.36 8.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.53 111.763 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.67 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.3 97.92 3.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.318 0.58 . . . . 0.5 109.607 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.537 ' HG3' HD12 ' A' ' 116' ' ' LEU . 41.0 ttm180 -67.47 106.36 2.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.188 -0.915 . . . . 2.87 110.868 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.6 144.64 54.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.492 -0.776 . . . . 0.62 110.914 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -63.47 -24.36 70.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.553 2.836 . . . . 0.76 114.127 -169.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.16 -28.24 54.06 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.133 0.42 . . . . 2.2 112.133 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.2 t -84.44 -31.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.253 -0.979 . . . . 0.35 109.265 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.42 -47.27 84.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.405 -0.961 . . . . 0.61 108.405 172.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -50.6 -54.8 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.617 -1.174 . . . . 2.04 110.627 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -41.77 98.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.039 -0.982 . . . . 1.48 112.041 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 43.3 t -62.41 -46.77 87.07 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.0 -0.546 . . . . 0.91 110.107 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.82 -35.23 80.09 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.983 -0.553 . . . . 1.38 110.575 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 130' ' ' GLN . 6.7 tp60 -64.9 -49.76 69.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 1.72 110.642 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.02 82.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.364 0.505 . . . . 0.29 112.364 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.2 pt-20 -71.89 -33.56 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.553 -0.459 . . . . 2.04 111.729 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -35.71 54.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.618 -0.433 . . . . 1.9 109.947 176.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.4 mt -63.01 -51.87 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.48 110.626 175.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 105' ' ' TYR . 48.2 tp -59.64 -36.16 75.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.848 -177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.53 -29.85 70.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 3.36 110.777 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.88 -13.79 46.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.253 0.549 . . . . 2.28 110.97 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -88.9 -11.36 44.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 1.75 111.829 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.102 -0.951 . . . . 2.99 110.665 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 121.399 0.619 . . . . 3.26 110.52 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -58.1 -22.29 50.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.678 -1.146 . . . . 1.94 113.372 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -64.87 -35.5 81.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.018 0.437 . . . . 2.19 110.835 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.44 -38.86 74.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.287 0.565 . . . . 2.83 109.901 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 43' ' ' LEU . 41.4 tt0 -74.85 -28.92 60.87 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.783 -0.644 . . . . 2.26 110.425 177.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.18 -37.72 86.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.115 0.484 . . . . 0.46 110.071 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.98 -42.03 99.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.841 -0.8 . . . . 1.98 108.841 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' HD23 ' A' ' 20' ' ' LEU . 78.2 tttt -61.59 -48.11 82.42 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.769 -0.65 . . . . 2.88 110.519 176.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 59.2 mm-40 -60.43 -37.13 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.54 111.193 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -64.51 -42.32 95.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 0.8 110.063 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.27 -42.11 72.55 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.028 -0.533 . . . . 2.32 111.519 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.2 mm? -60.11 -39.72 87.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.309 0.576 . . . . 0.6 110.026 176.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.5 -54.07 21.45 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.333 -0.849 . . . . 0.41 111.446 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.631 ' HB2' ' OH ' ' A' ' 37' ' ' TYR . 64.1 t30 -54.91 -34.66 63.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.192 0.52 . . . . 1.27 111.517 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.77 -43.37 84.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.187 0.517 . . . . 0.93 110.505 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.82 -31.24 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.58 109.886 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.9 t80 -58.79 -45.85 88.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.973 -1.012 . . . . 0.68 109.831 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.7 mttt -69.18 -18.49 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.105 -0.952 . . . . 1.62 110.955 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.4 ttmp? -103.35 12.94 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 2.31 110.837 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 62.2 mttm 62.95 13.82 6.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.013 -0.539 . . . . 2.39 112.003 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.31 59.24 4.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.515 -0.92 . . . . 1.62 108.515 173.309 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 88.3 m-85 -61.0 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 0.71 111.683 -171.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.07 -44.55 92.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.051 0.453 . . . . 1.93 110.287 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 50.9 m -66.97 -38.09 85.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.57 110.787 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.86 -47.75 76.78 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.829 -0.623 . . . . 0.39 110.763 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.15 -29.25 69.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.317 0.579 . . . . 0.81 109.541 178.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -53.06 55.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.644 -0.707 . . . . 1.41 109.826 174.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 28.4 m-70 -63.69 -42.8 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.211 -0.904 . . . . 0.47 111.697 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.661 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 4.5 m-85 -62.25 -45.23 94.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.607 -0.724 . . . . 0.48 111.005 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.667 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -66.11 -32.44 73.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.51 110.592 175.017 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.537 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.4 tptm -62.51 -41.8 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 1.25 109.97 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.56 74.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.26 110.55 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -71.09 -33.2 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 1.37 110.339 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.46 -23.89 62.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 2.78 110.372 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.5 mp -87.12 -53.98 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.01 -0.541 . . . . 0.49 110.341 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -132.45 97.67 17.49 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 120.288 -0.565 . . . . 1.11 111.205 172.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.12 -11.64 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 123.127 2.551 . . . . 0.64 113.003 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.6 p -90.01 -11.91 40.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.12 0.486 . . . . 0.46 111.079 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.524 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 12.8 t-20 -84.9 90.25 7.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.078 -0.712 . . . . 2.13 109.078 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.848 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 21.3 ptm -53.82 -29.16 39.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.083 -0.962 . . . . 1.05 111.804 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -57.41 -33.67 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.71 111.441 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.69 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.9 m-30 -66.19 -50.65 63.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.027 -0.731 . . . . 0.44 109.027 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.5 mt -60.99 -43.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.835 -1.075 . . . . 0.33 111.671 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 60.3 p -65.06 -28.77 69.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.236 0.541 . . . . 0.28 110.946 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.48 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 7.1 m-20 -85.04 -27.65 26.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 1.59 110.779 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 10.7 mt-30 -59.35 -46.63 88.1 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.717 -1.216 . . . . 1.34 107.717 167.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.79 -42.05 75.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 113.813 -1.54 . . . . 0.3 111.397 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.92 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.3 111.217 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 34' ' ' LEU . 38.4 t -63.3 -46.05 96.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 109.93 -0.396 . . . . 0.33 109.93 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 59.6 m-85 -55.54 -39.5 70.67 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.921 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 6.8 t80 -57.34 -47.42 81.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.728 -0.471 . . . . 0.56 109.728 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -69.87 -30.65 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.635 . . . . 1.42 110.811 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' HG12 ' A' ' 57' ' ' VAL . 40.5 mtmt -69.22 -23.42 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.652 -0.704 . . . . 1.1 111.127 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.18 -6.86 43.22 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.1 -0.8 . . . . 0.36 111.1 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 9.0 m-20 -88.22 75.99 8.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.3 0.571 . . . . 1.26 110.102 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -68.52 -37.8 80.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.43 111.36 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -68.33 -23.68 64.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.334 -0.394 . . . . 2.18 110.746 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 2.3 tmtm? -80.18 -36.66 34.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.68 110.4 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -57.73 -40.68 80.2 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.449 -0.945 . . . . 1.29 108.449 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.763 ' HG2' HG23 ' A' ' 95' ' ' ILE . 5.3 tmm_? -62.0 -54.86 35.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.902 -1.045 . . . . 3.39 110.044 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -52.8 -47.98 67.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.578 -0.737 . . . . 2.08 112.284 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 40.2 mt -76.41 -37.33 57.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.858 0.688 . . . . 0.24 112.858 -173.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.0 m -64.11 -46.16 85.45 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.676 -0.41 . . . . 1.1 111.828 -175.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 1.9 pt-20 -67.39 -32.68 73.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.686 -0.406 . . . . 2.09 110.787 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -62.09 -49.71 74.86 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.518 -0.549 . . . . 1.23 109.518 173.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -58.52 -40.39 82.74 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.589 -0.732 . . . . 0.19 110.579 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.848 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.0 mt -62.27 -43.35 97.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.457 -0.338 . . . . 0.23 110.989 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.15 -39.64 87.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 2.35 109.749 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.96 -44.52 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.235 -0.893 . . . . 0.25 111.452 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.48 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.99 -44.79 65.61 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.146 -0.549 . . . . 0.27 112.171 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 79' ' ' ARG . 19.0 ttt85 -66.06 -22.62 66.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.338 0.589 . . . . 2.63 109.799 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -77.86 -52.47 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.264 -0.88 . . . . 1.96 110.5 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.8 18.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 1.35 111.472 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 55.17 46.19 24.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.52 0.676 . . . . 4.67 111.154 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.1 tp10 -91.79 166.66 12.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.103 -0.953 . . . . 1.6 111.223 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 9.4 t70 -44.97 110.88 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.11 0.964 . . . . 0.82 111.976 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 22.6 p90 -74.33 -22.89 59.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.44 111.055 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -68.91 -37.69 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.686 -0.857 . . . . 3.04 108.686 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.02 -37.91 89.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.821 -1.081 . . . . 1.46 109.908 172.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 9.1 mt -58.39 -42.39 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.626 -0.715 . . . . 0.25 111.202 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.713 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.53 -35.33 80.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.297 -0.41 . . . . 0.24 110.818 177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -67.76 -34.7 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.431 -0.581 . . . . 1.26 109.431 176.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.95 -46.92 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.23 110.041 174.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -56.68 -39.71 74.27 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.141 -0.482 . . . . 0.24 110.853 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -68.96 -36.09 77.51 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.765 -0.652 . . . . 0.26 111.194 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -70.78 -33.2 70.51 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.785 -0.366 . . . . 1.5 110.665 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.763 HG23 ' HG2' ' A' ' 68' ' ' ARG . 65.6 mt -62.5 -54.85 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.317 -0.623 . . . . 0.28 109.317 173.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.86 -35.12 89.7 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.768 -0.73 . . . . 0.23 112.111 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 3.5 t30 -71.15 -35.86 71.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.512 0.196 . . . . 1.64 110.922 -177.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.5 p -65.47 -36.9 85.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.809 -0.441 . . . . 0.94 109.809 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 46.8 m-85 -68.19 -47.1 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.784 -0.644 . . . . 0.43 110.076 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -53.01 -41.76 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.035 -0.984 . . . . 0.43 110.293 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.5 tppt? -80.23 -14.11 58.68 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.08 -0.964 . . . . 0.74 112.036 -178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.9 pt-20 -108.8 5.1 24.3 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.869 0.366 . . . . 0.57 111.238 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 77.86 11.85 1.95 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 1.47 111.818 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 82.5 mttt -91.81 60.13 3.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.21 0.529 . . . . 1.89 110.062 173.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 135' ' ' LEU . 80.4 m-85 -62.87 -33.27 74.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.703 -0.68 . . . . 0.46 112.379 -174.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.97 -41.97 88.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 1.57 109.954 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -80.81 -27.81 36.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.67 110.547 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.32 -56.94 15.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.051 -0.522 . . . . 0.22 110.26 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 mt -58.16 -36.69 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.576 -0.738 . . . . 0.51 111.486 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -51.49 -57.03 10.16 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.784 0.326 . . . . 0.44 110.901 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.7 m-85 -80.31 -20.18 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.32 111.352 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 1.009 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 4.9 m-30 -61.45 -52.26 65.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.995 -0.372 . . . . 0.32 109.995 170.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' HD23 ' A' ' 116' ' ' LEU . 18.5 t-20 -60.26 -29.75 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.243 0.544 . . . . 1.77 110.43 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 17.7 mmtt -68.84 -29.11 67.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 1.25 110.716 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.599 ' HB3' HG11 ' A' ' 124' ' ' VAL . 37.7 t -73.71 -42.54 61.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 1.04 109.222 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.478 HD21 ' SG ' ' A' ' 128' ' ' CYS . 1.4 mm? -56.99 -31.17 64.79 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.38 109.754 171.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -63.09 -46.73 86.03 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.92 -1.036 . . . . 0.41 111.622 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.72 -50.06 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.9 0.333 . . . . 0.53 111.9 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.713 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.1 t-160 -144.25 97.95 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.525 0.679 . . . . 0.5 110.162 -175.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -61.99 117.23 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.882 -1.053 . . . . 2.87 111.192 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.421 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.4 p -129.94 138.57 33.39 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.56 -0.745 . . . . 0.62 110.625 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 12.4 Cg_endo -54.03 -33.61 73.92 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 124.199 3.266 . . . . 0.76 112.265 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 126' ' ' LYS . 22.4 t70 -63.75 -52.41 60.54 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.302 -0.408 . . . . 2.2 111.304 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.813 HG12 ' SG ' ' A' ' 128' ' ' CYS . 46.8 t -65.33 -46.9 89.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 N-CA-C 108.679 -0.86 . . . . 0.35 108.679 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.52 -45.49 66.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.534 0.521 . . . . 0.61 110.118 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 37.1 ttmt -53.56 -51.46 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.566 -0.743 . . . . 2.04 110.222 172.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -62.65 -39.4 93.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.06 -0.973 . . . . 1.48 112.648 -178.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 1.009 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 24.0 m -65.66 -43.17 90.2 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 121.081 0.467 . . . . 0.91 109.978 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 92.3 mt-30 -72.21 -38.53 68.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 1.38 109.841 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.4 tp-100 -57.75 -53.95 52.36 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.177 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.287 -0.415 . . . . 0.29 111.043 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -71.51 -48.0 51.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.202 -0.453 . . . . 2.04 110.828 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 12.6 ptmm? -64.41 -44.97 89.58 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.876 -0.416 . . . . 1.9 109.876 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.6 mt -56.58 -44.98 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.934 0.397 . . . . 0.48 110.81 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.639 HD23 ' HB2' ' A' ' 105' ' ' TYR . 2.1 tm? -61.11 -42.99 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 1.37 110.685 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -80.45 -15.09 57.6 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.828 -0.349 . . . . 3.36 111.111 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 43.9 mt-10 -71.72 -27.75 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.241 -0.651 . . . . 2.28 109.241 170.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.45 -57.4 3.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.291 -0.868 . . . . 1.75 110.797 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.235 -0.888 . . . . 2.99 110.9 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.186 0.517 . . . . 3.26 110.359 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 86.8 m-20 -64.56 -21.46 66.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.193 -0.912 . . . . 1.94 111.982 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.58 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 54.8 mttm -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.751 0.31 . . . . 2.19 111.271 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.69 -46.02 90.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.621 . . . . 2.83 109.998 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.715 ' HB3' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.99 -32.99 74.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.223 -0.899 . . . . 2.26 110.562 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.611 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.94 -37.15 85.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.46 111.334 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -62.92 -43.36 99.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.938 -0.764 . . . . 1.98 108.938 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' OE1' ' A' ' 13' ' ' GLN . 13.0 tmtt? -62.41 -42.76 99.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 2.88 110.443 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 50.3 mm-40 -62.87 -40.53 97.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 0.54 110.817 176.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 21.8 ttpp -60.41 -45.11 94.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.804 -0.358 . . . . 0.8 110.058 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.75 -38.74 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 2.32 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.18 -39.3 86.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.858 0.361 . . . . 0.6 110.915 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.66 -52.82 39.31 Favored Glycine 0 C--O 1.223 -0.545 0 N-CA-C 111.114 -0.794 . . . . 0.41 111.114 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.595 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 26.7 t-20 -56.76 -36.88 70.33 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.948 0.499 . . . . 1.27 112.02 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.87 -45.41 82.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.173 -0.467 . . . . 0.93 110.612 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.7 -31.76 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.535 0.683 . . . . 0.58 110.124 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.2 t80 -58.61 -34.92 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.815 -1.084 . . . . 0.68 110.484 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 98.5 mttt -79.02 -9.15 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.373 -0.83 . . . . 1.62 111.555 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -113.06 17.36 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.266 -0.425 . . . . 2.31 110.895 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.0 mtpm? 57.46 21.01 6.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.941 -0.572 . . . . 2.39 111.967 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -94.79 66.66 3.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.137 -1.06 . . . . 1.62 108.137 171.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 83.6 m-85 -68.26 -32.09 72.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.123 -0.944 . . . . 0.71 112.262 -168.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 28.6 m-20 -67.24 -42.78 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.207 -0.664 . . . . 1.93 109.207 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.6 m -66.37 -37.76 86.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.34 -0.846 . . . . 0.57 110.687 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.18 -54.27 47.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.39 110.211 175.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.974 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.9 -26.17 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.306 -0.861 . . . . 0.81 110.224 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.27 -48.9 79.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 1.41 110.578 178.438 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -80.48 -31.55 37.27 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.47 110.914 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 7.2 m-85 -62.28 -43.4 98.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.48 110.234 175.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.706 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 t70 -66.99 -41.83 86.08 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.529 -0.76 . . . . 1.51 110.561 175.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' HD13 ' A' ' 43' ' ' LEU . 54.5 tptt -54.88 -47.74 73.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 1.25 110.024 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.42 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.26 111.21 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 63.3 tttm -73.3 -27.78 61.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.924 0.392 . . . . 1.37 110.784 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.33 -26.46 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 2.78 110.002 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -80.01 -42.94 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.49 110.292 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.15 91.21 13.12 Favored Pre-proline 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 1.11 110.726 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -11.04 22.26 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.863 2.375 . . . . 0.64 112.604 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -95.7 -5.5 42.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.219 0.533 . . . . 0.46 110.826 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -90.91 94.93 9.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 2.13 109.659 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.0 ppp? -53.9 -30.59 46.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.15 -0.932 . . . . 1.05 111.603 -174.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 m -63.5 -31.21 72.3 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.977 -0.556 . . . . 0.71 111.703 -174.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.7 m-30 -71.04 -33.16 70.04 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.395 0.616 . . . . 0.44 109.549 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 66.0 mt -78.13 -38.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.856 -1.065 . . . . 0.33 111.063 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.5 p -70.86 -33.15 70.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.145 0.498 . . . . 0.28 110.264 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.677 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.6 m-20 -73.7 -32.73 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.879 -0.6 . . . . 1.59 110.083 176.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.706 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 38.7 mt-30 -54.94 -54.09 47.21 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.706 0.765 . . . . 1.34 109.572 167.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.45 -36.49 71.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.322 -1.308 . . . . 0.3 111.118 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.46 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.3 111.104 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 34' ' ' LEU . 99.0 t -67.28 -47.08 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 116.229 -0.442 . . . . 0.33 110.573 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.1 m-85 -59.97 -38.39 82.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.286 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.3 -50.28 71.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 0.56 110.422 175.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -66.54 -36.94 83.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.3 0.572 . . . . 1.42 111.037 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.2 mtpp -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.439 -0.8 . . . . 1.1 111.559 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.25 -3.12 29.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.994 -0.622 . . . . 0.36 111.589 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -87.65 69.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.139 0.495 . . . . 1.26 110.379 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 101' ' ' LYS . 90.7 m-85 -65.76 -30.47 71.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.837 -0.62 . . . . 0.43 110.854 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.02 -40.42 87.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 2.18 111.187 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 58.3 tptt -71.92 -34.66 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.68 110.396 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.19 -46.65 88.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 1.29 109.555 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -59.63 -41.01 89.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.547 -0.751 . . . . 3.39 109.708 174.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.58 -59.54 5.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.086 -0.961 . . . . 2.08 111.562 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 81.5 mt -68.57 -34.53 75.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.478 0.547 . . . . 0.24 112.478 -173.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.415 ' HB2' HG12 ' A' ' 95' ' ' ILE . 93.1 m -61.09 -49.96 75.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.877 -0.329 . . . . 1.1 111.882 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -33.16 75.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.53 -0.468 . . . . 2.09 110.621 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.612 ' NZ ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.86 -50.07 72.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.834 -0.432 . . . . 1.23 109.834 174.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.59 -43.0 97.86 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.812 -0.631 . . . . 0.19 110.565 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 71' ' ' CYS . 54.4 mt -60.99 -44.24 97.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.462 -0.335 . . . . 0.23 110.415 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.33 -48.35 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.095 -0.502 . . . . 2.35 109.756 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' NZ ' ' A' ' 73' ' ' LYS . 38.0 t -63.15 -43.92 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.427 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.6 -48.63 28.21 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.76 -0.654 . . . . 0.27 112.296 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -64.41 -24.98 67.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 2.63 109.341 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.19 -53.19 15.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.384 -0.825 . . . . 1.96 110.657 173.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -84.5 14.32 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.35 111.2 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 59.25 42.89 17.73 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.634 -0.712 . . . . 4.67 111.317 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.99 166.3 18.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.389 -0.823 . . . . 1.6 110.201 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.632 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 10.8 t70 -50.19 111.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 0.82 111.618 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 20.8 p90 -73.84 -21.49 60.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.062 0.458 . . . . 0.44 110.753 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.632 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 84.5 mtm180 -65.78 -42.61 90.58 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.54 -0.911 . . . . 3.04 108.54 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.329 -1.305 . . . . 1.46 110.243 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 8.8 mt -60.26 -41.12 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 0.25 111.246 174.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.653 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.5 -36.87 81.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.965 0.412 . . . . 0.24 110.331 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.7 mmmt -66.66 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.633 -0.506 . . . . 1.26 109.633 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -68.78 -44.06 74.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.23 110.184 175.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -59.59 -43.43 93.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.84 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.61 -37.67 84.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.63 -0.714 . . . . 0.26 110.351 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -71.54 -37.35 71.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 1.5 110.287 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' ALA . 62.9 mt -59.48 -54.09 39.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 120.976 0.417 . . . . 0.28 109.964 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.72 -35.99 92.04 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.64 -0.709 . . . . 0.23 111.587 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 52.7 t30 -68.73 -31.27 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 1.64 110.423 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 m -65.92 -45.27 82.5 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.721 -0.474 . . . . 0.94 109.721 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 50.6 m-85 -61.83 -41.61 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.798 -0.637 . . . . 0.43 110.126 174.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -56.08 -44.29 78.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.916 -1.038 . . . . 0.43 110.623 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 10.7 mmpt? -66.36 -37.76 86.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.74 111.61 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.3 pt-20 -91.13 1.78 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.908 0.336 . . . . 0.57 111.908 -169.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 75.31 29.27 0.93 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.417 0.627 . . . . 1.47 111.168 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.9 mtpt -108.67 57.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.535 0.683 . . . . 1.89 109.424 172.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.511 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.6 m-85 -59.83 -31.64 69.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.856 -1.066 . . . . 0.46 112.473 -173.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.69 -44.55 90.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.464 0.65 . . . . 1.57 109.873 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.74 -27.61 40.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.67 110.337 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -58.18 -57.77 11.41 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.856 -0.611 . . . . 0.22 110.285 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG23 ' SG ' ' A' ' 128' ' ' CYS . 14.1 mt -61.14 -33.85 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.51 111.406 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.82 -56.84 17.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.44 110.559 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.576 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 84.1 m-85 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.299 -0.41 . . . . 0.32 111.096 -178.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' A' ' 97' ' ' ASN . 5.1 m-85 -59.71 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.987 -0.746 . . . . 0.32 108.987 168.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 116' ' ' LEU . 6.0 m120 -67.36 -18.82 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 1.77 111.223 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 48.0 mmtt -70.74 -29.9 66.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.22 0.533 . . . . 1.25 109.943 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.616 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.3 t -74.82 -45.97 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.298 -0.63 . . . . 1.04 109.298 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -56.73 -28.95 61.98 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.424 0.631 . . . . 0.38 109.399 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -63.63 -50.52 69.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.061 -0.972 . . . . 0.41 111.308 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -84.06 -50.16 8.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.964 0.357 . . . . 0.53 111.964 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.653 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.4 t-160 -142.94 97.59 3.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.212 0.53 . . . . 0.5 109.626 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HG3' HD12 ' A' ' 116' ' ' LEU . 60.3 ttt180 -65.57 105.97 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.248 -0.887 . . . . 2.87 110.945 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 6.6 p -128.34 137.48 30.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.694 0.759 . . . . 0.62 111.831 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.2 Cg_endo -49.17 -31.98 23.34 Favored 'Trans proline' 0 C--O 1.222 -0.309 0 C-N-CA 125.17 3.913 . . . . 0.76 114.124 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.98 -49.66 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.694 0.283 . . . . 2.2 111.326 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.4 t -74.08 -29.2 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.416 -0.514 . . . . 0.35 109.767 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.36 -44.6 87.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.147 -0.686 . . . . 0.61 109.147 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -57.99 -47.9 81.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.909 -1.042 . . . . 2.04 110.468 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 7.3 mptt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.023 -0.989 . . . . 1.48 111.297 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 26.0 t -61.51 -47.05 87.38 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.713 -0.676 . . . . 0.91 109.878 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.84 -39.11 87.82 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.845 -0.616 . . . . 1.38 110.671 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 134' ' ' ILE . 49.7 tp60 -61.65 -51.51 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 1.72 110.7 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.74 94.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.318 0.488 . . . . 0.29 112.318 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.6 pt-20 -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.674 -0.41 . . . . 2.04 111.345 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.7 ptmt -75.82 -27.64 57.99 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.574 -0.45 . . . . 1.9 109.924 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 130' ' ' GLN . 32.2 mt -66.01 -47.09 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.48 110.139 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.511 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.3 mt -60.91 -32.38 71.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.54 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.89 -30.35 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 3.36 110.332 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -22.28 58.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 2.28 110.951 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 15.0 mm100 -80.37 -21.85 41.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 1.75 110.931 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 116.159 -0.473 . . . . 2.99 110.605 177.709 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.02 0.438 . . . . 3.26 109.96 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 16.2 m120 -82.92 -22.19 33.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.987 -0.551 . . . . 1.94 110.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -57.43 -49.63 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.351 . . . . 2.19 111.444 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.55 -42.46 98.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.164 0.507 . . . . 2.83 110.756 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HB3' HD23 ' A' ' 43' ' ' LEU . 32.9 tt0 -68.02 -26.64 65.99 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.774 -0.648 . . . . 2.26 110.646 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -64.67 -36.22 83.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.46 110.657 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 3.5 mm? -61.29 -44.93 96.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.286 -0.635 . . . . 1.98 109.286 174.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -57.54 -46.89 83.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.598 -0.728 . . . . 2.88 110.893 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 27.0 mm-40 -65.85 -36.64 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.476 -0.329 . . . . 0.54 111.626 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.7 ttpp -65.73 -40.24 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.543 . . . . 0.8 109.633 175.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 39.6 mt-10 -64.76 -46.15 83.4 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.461 -0.336 . . . . 2.32 110.705 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.6 110.872 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.76 -51.32 56.66 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 111.627 -0.589 . . . . 0.41 111.627 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.2 t-20 -58.34 -37.31 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.041 0.448 . . . . 1.27 111.383 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.03 -46.71 86.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.91 -0.586 . . . . 0.93 110.613 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.71 -31.47 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.604 0.716 . . . . 0.58 109.8 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 93.2 t80 -60.38 -37.83 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.757 -1.11 . . . . 0.68 110.683 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 67.7 mttm -72.75 -10.29 59.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.645 -0.707 . . . . 1.62 110.978 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -106.92 10.29 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.952 -0.567 . . . . 2.31 110.189 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 55.81 25.45 8.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.76 -0.654 . . . . 2.39 111.577 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 4.8 t0 -86.16 65.83 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.336 -1.357 . . . . 1.62 107.336 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -58.17 -44.86 88.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.883 -1.053 . . . . 0.71 113.347 -162.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 5.8 p-10 -65.38 -38.61 90.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.331 -0.548 . . . . 1.93 110.998 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.3 m -69.84 -41.59 74.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 0.57 110.505 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -57.6 -55.48 34.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.373 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.14 -31.17 70.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.81 110.447 -178.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 4.7 tppt? -60.98 -45.23 95.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.463 -0.79 . . . . 1.41 110.829 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.1 m-70 -80.55 -33.53 36.13 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.47 110.498 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 3.8 m-85 -58.64 -48.74 79.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.48 110.629 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 t70 -62.07 -41.92 98.66 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.51 110.447 175.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 43' ' ' LEU . 54.4 tptt -55.15 -44.05 74.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.151 -0.931 . . . . 1.25 110.305 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -29.04 69.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 0.26 111.23 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HD2' HG12 ' A' ' 51' ' ' ILE . 62.4 tttm -78.0 -26.53 48.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 1.37 110.37 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -77.6 -22.12 51.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.388 0.613 . . . . 2.78 109.752 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -87.81 -49.16 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 0.49 110.376 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 13.0 t70 -137.21 96.21 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.612 . . . . 1.11 110.956 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.5 -10.36 22.02 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.195 2.597 . . . . 0.64 112.418 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -91.04 -0.21 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.46 111.389 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.525 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 16.2 t-20 -99.37 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.28 -0.637 . . . . 2.13 109.28 174.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.783 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.6 ptm -62.14 -28.79 69.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.761 -0.654 . . . . 1.05 111.104 -172.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.4 m -61.81 -27.25 68.63 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.71 111.574 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 23.4 m-30 -69.96 -37.34 75.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.483 0.659 . . . . 0.44 109.28 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 59.3 mt -76.25 -39.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.718 -1.128 . . . . 0.33 110.896 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.6 p -69.2 -38.41 78.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.28 110.529 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.66 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 68.6 m-20 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 1.59 110.533 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.565 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 28.0 mt-30 -61.66 -52.95 62.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.256 0.55 . . . . 1.34 109.751 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.91 -37.21 66.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.708 -1.133 . . . . 0.3 111.161 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 59' ' ' PHE . . . -52.13 -52.82 49.26 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.3 110.173 173.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 ' HB2' ' A' ' 34' ' ' LEU . 42.9 t -59.41 -33.98 52.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.223 -0.444 . . . . 0.33 111.06 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 66' ' ' LYS . 62.8 m-85 -66.24 -42.97 87.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.0 -0.37 . . . . 0.38 110.0 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.3 t80 -54.06 -54.16 43.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.479 -0.782 . . . . 0.56 109.561 172.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.97 -46.52 61.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.848 -1.069 . . . . 1.42 112.266 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HD3' HG12 ' A' ' 57' ' ' VAL . 3.6 mtpp -65.85 -18.99 65.72 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.221 1.008 . . . . 1.1 112.365 -176.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.6 -1.2 58.33 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.946 -0.862 . . . . 0.36 110.946 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.33 75.3 8.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.572 -0.814 . . . . 1.26 110.271 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.76 -29.27 65.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.43 111.249 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.64 -31.91 67.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.886 0.374 . . . . 2.18 110.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.617 ' NZ ' HD21 ' A' ' 70' ' ' LEU . 3.8 tmtt? -80.39 -33.79 36.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.255 -0.429 . . . . 0.68 111.147 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.12 -40.43 93.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.35 -0.981 . . . . 1.29 108.35 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.2 tmt_? -64.31 -48.92 73.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.356 -0.838 . . . . 3.39 110.206 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.41 -52.85 51.58 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.397 0.618 . . . . 2.08 111.04 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.617 HD21 ' NZ ' ' A' ' 66' ' ' LYS . 29.2 mt -75.8 -40.56 54.86 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.398 -0.819 . . . . 0.24 112.961 -170.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' O ' HG13 ' A' ' 75' ' ' ILE . 84.6 m -61.16 -47.0 88.23 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.541 -0.464 . . . . 1.1 111.2 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HG2' HD13 ' A' ' 95' ' ' ILE . 2.3 mm-40 -63.86 -35.73 81.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.704 0.287 . . . . 2.09 111.071 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -66.38 -49.58 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.735 -0.469 . . . . 1.23 109.735 176.095 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.62 -43.99 80.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.703 -0.68 . . . . 0.19 110.27 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.783 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 34.9 mt -61.78 -40.48 87.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 0.23 110.758 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.64 -33.56 75.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.139 0.495 . . . . 2.35 109.835 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 77.8 t -74.88 -42.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.558 -0.746 . . . . 0.25 111.32 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.506 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -72.94 -32.93 60.31 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.701 -0.761 . . . . 0.27 111.463 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 11.0 tpt180 -65.28 -32.58 74.32 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.69 -0.855 . . . . 2.63 108.69 174.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.0 tp10 -67.51 -54.77 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.31 -1.314 . . . . 1.96 111.602 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -99.42 9.71 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.768 -0.651 . . . . 1.35 111.358 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 60.25 48.43 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.458 -0.792 . . . . 4.67 111.141 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.679 ' CD ' ' HG2' ' A' ' 48' ' ' MET . 36.3 tt0 -84.0 168.44 15.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.826 -0.624 . . . . 1.6 110.021 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -43.82 110.12 0.19 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.423 0.689 . . . . 0.82 112.324 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.48 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.7 p90 -71.01 -20.1 62.44 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.168 0.509 . . . . 0.44 110.695 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HA ' ' HB2' ' A' ' 119' ' ' HIS . 48.2 mtm180 -65.72 -42.49 91.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.632 -0.877 . . . . 3.04 108.632 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -61.75 -40.68 95.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.066 -1.425 . . . . 1.46 110.009 173.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG13 ' SD ' ' A' ' 48' ' ' MET . 22.4 mt -59.94 -42.44 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.538 -0.755 . . . . 0.25 111.316 175.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.42 -39.58 93.77 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.475 -0.329 . . . . 0.24 110.49 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.6 mmtp -71.14 -29.59 65.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.267 -0.573 . . . . 1.26 110.469 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -63.73 -46.54 84.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.576 -0.527 . . . . 0.23 109.576 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 22.3 m-85 -58.21 -42.6 86.57 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.24 110.813 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.34 97.82 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.601 -0.727 . . . . 0.26 110.745 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 90.1 mtt-85 -64.75 -39.18 93.2 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.068 -0.253 . . . . 1.5 110.535 177.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.554 HG23 ' HG2' ' A' ' 68' ' ' ARG . 80.2 mt -58.95 -51.32 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.28 109.605 174.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.54 -39.9 97.06 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.93 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 96.8 m-20 -64.54 -38.47 91.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.6 0.238 . . . . 1.64 110.534 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -59.17 -49.07 79.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.041 0.448 . . . . 0.94 110.087 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 41.8 m-85 -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.444 -0.798 . . . . 0.43 110.149 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 68.0 t80 -55.95 -43.3 77.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.301 -0.863 . . . . 0.43 110.931 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -72.02 -30.45 65.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.74 110.756 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.5 pt-20 -94.25 5.34 52.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.324 -0.398 . . . . 0.57 111.193 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 75.79 11.42 3.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.74 0.816 . . . . 1.47 111.252 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 23.7 tttp -89.93 55.64 3.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.895 -0.593 . . . . 1.89 110.147 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.52 ' HB2' HD13 ' A' ' 135' ' ' LEU . 65.8 m-85 -62.88 -29.74 70.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.854 0.687 . . . . 0.46 112.854 -171.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -56.27 -44.99 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.421 0.629 . . . . 1.57 110.099 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -25.34 34.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.315 -0.857 . . . . 0.67 110.562 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -61.11 -56.93 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 0.22 110.091 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.552 HG23 ' SG ' ' A' ' 128' ' ' CYS . 7.2 mt -57.81 -36.12 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.51 111.424 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -54.68 -58.36 7.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.871 0.367 . . . . 0.44 110.898 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.479 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 87.9 m-85 -76.54 -20.49 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 0.32 111.142 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.6 m-30 -61.24 -55.04 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.779 -0.452 . . . . 0.32 109.779 170.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.454 ' HA ' HD23 ' A' ' 116' ' ' LEU . 25.4 t-20 -58.25 -31.14 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 1.77 110.837 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.0 mmtt -64.92 -32.0 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 1.25 110.964 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.684 ' HB3' HG11 ' A' ' 124' ' ' VAL . 36.3 t -71.22 -42.94 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.243 -0.651 . . . . 1.04 109.243 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.4 mm? -59.51 -25.89 64.84 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.918 -0.583 . . . . 0.38 109.579 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -71.79 -33.93 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.237 -0.892 . . . . 0.41 111.56 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -99.67 -51.31 3.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.53 111.74 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.681 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 15.5 t-160 -140.82 97.37 3.18 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.57 -0.529 . . . . 0.5 109.57 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 116' ' ' LEU . 46.2 ttp180 -63.32 106.05 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.082 -0.963 . . . . 2.87 110.943 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 17.2 p -127.55 134.49 26.24 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.676 0.751 . . . . 0.62 111.166 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.5 -33.71 31.21 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 125.009 3.806 . . . . 0.76 114.159 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.99 -45.23 67.74 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.629 0.233 . . . . 2.2 111.629 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 115' ' ' SER . 6.5 t -71.34 -33.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.037 -0.665 . . . . 0.35 109.757 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -46.86 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.937 -0.764 . . . . 0.61 108.937 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -56.09 -48.76 75.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.957 -1.02 . . . . 2.04 110.523 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.4 mptt -62.25 -39.94 94.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 1.48 111.796 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.552 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.1 t -64.04 -47.35 80.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.91 109.978 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -65.96 -39.81 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.195 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -59.03 -56.35 23.41 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.618 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.32 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.247 -0.433 . . . . 0.29 111.127 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.646 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 28.0 tt0 -66.99 -49.84 64.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.98 -0.554 . . . . 2.04 110.589 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.42 -37.45 80.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.691 0.282 . . . . 1.9 110.577 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 61.0 mt -59.82 -48.17 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.48 110.453 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 105' ' ' TYR . 56.2 tp -60.14 -37.82 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.757 -0.656 . . . . 1.37 111.008 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 92.8 mttt -59.28 -34.12 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 3.36 110.743 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.88 -28.76 55.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 2.28 110.625 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 86.6 mm-40 -76.42 -23.9 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.735 . . . . 1.75 111.304 -175.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 116.143 -0.481 . . . . 2.99 110.745 177.791 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.657 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.4 tp10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.013 0.435 . . . . 3.26 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 13' ' ' GLN . 92.3 m-20 -67.94 -20.52 65.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.628 -0.714 . . . . 1.94 111.466 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 62.0 mttm -56.31 -54.05 50.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.887 0.375 . . . . 2.19 111.113 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.02 -36.53 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 2.83 110.073 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.543 ' HB3' HD23 ' A' ' 43' ' ' LEU . 16.6 mm-40 -63.42 -34.08 76.95 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 2.26 110.726 174.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -66.95 -34.6 78.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.771 -0.65 . . . . 0.46 110.437 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 71.0 mt -62.04 -43.88 97.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.512 -0.551 . . . . 1.98 109.512 172.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.28 -46.97 87.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.184 -0.917 . . . . 2.88 110.357 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 36.9 mm-40 -64.24 -36.91 85.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.862 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 18' ' ' LYS . 20.7 ttpp -63.91 -41.59 97.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.82 0.343 . . . . 0.8 110.101 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 50.4 mt-10 -68.19 -41.1 81.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 2.32 111.048 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.81 -40.75 97.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.832 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.33 -51.26 50.84 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.72 -0.752 . . . . 0.41 111.349 174.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.6 t30 -57.39 -35.84 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.981 0.42 . . . . 1.27 111.61 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.79 -43.07 84.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.203 -0.453 . . . . 0.93 110.399 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.76 -32.28 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.58 110.142 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.6 t80 -57.26 -41.6 79.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.922 . . . . 0.68 109.957 175.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 97.9 mttt -72.83 -19.27 61.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.278 -0.874 . . . . 1.62 111.109 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -98.84 12.57 35.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.08 -0.509 . . . . 2.31 111.156 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm 60.21 21.52 10.89 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.101 0.477 . . . . 2.39 111.607 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 2.2 t70 -99.16 63.51 1.32 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.747 -1.205 . . . . 1.62 107.747 173.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' O ' HG11 ' A' ' 57' ' ' VAL . 89.7 m-85 -60.76 -31.55 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.506 -1.225 . . . . 0.71 112.451 -169.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 10.0 m-20 -67.76 -44.7 76.88 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.516 -0.474 . . . . 1.93 110.656 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.1 m -66.99 -35.69 80.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.146 0.498 . . . . 0.57 110.057 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.82 -58.13 9.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 0.39 110.613 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -63.09 -28.28 69.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.284 -0.871 . . . . 0.81 110.188 -178.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -62.54 -49.19 76.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 1.41 110.798 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.1 m-70 -74.84 -36.82 62.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.936 0.398 . . . . 0.47 110.18 177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 1.7 m-85 -57.26 -41.27 79.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.48 110.55 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.778 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 27.9 t70 -68.84 -40.39 79.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.912 -0.585 . . . . 1.51 110.396 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HD11 ' A' ' 43' ' ' LEU . 56.9 tptt -58.72 -42.12 87.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.537 -0.756 . . . . 1.25 110.377 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.68 70.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.26 110.872 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 61.7 tttm -75.82 -23.18 55.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.049 0.452 . . . . 1.37 110.613 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.22 -31.07 38.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.338 -0.615 . . . . 2.78 109.338 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD11 ' HE3' ' A' ' 39' ' ' LYS . 9.9 mp -76.09 -44.49 38.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.312 -0.858 . . . . 0.49 110.509 177.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -144.16 96.95 5.3 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.141 -0.624 . . . . 1.11 111.643 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.97 -15.74 23.34 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.215 2.61 . . . . 0.64 112.632 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -85.04 -8.51 58.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.093 -0.503 . . . . 0.46 111.021 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.496 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 15.0 t-20 -90.25 94.44 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.341 -0.614 . . . . 2.13 109.341 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.9 ppp? -53.31 -30.36 38.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.921 -1.036 . . . . 1.05 111.605 -174.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.7 m -59.15 -32.94 70.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.71 112.003 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.5 m-85 -70.5 -44.63 67.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.484 0.659 . . . . 0.44 109.595 -177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.69 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 69.9 mt -63.67 -43.64 98.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.471 -1.241 . . . . 0.33 111.406 -174.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 60.7 p -66.29 -31.5 72.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.509 . . . . 0.28 110.748 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.0 m-20 -78.05 -25.73 47.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 1.59 111.291 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.778 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 20.8 mt-30 -66.53 -44.07 83.44 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 107.818 -1.178 . . . . 1.34 107.818 169.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.75 -40.87 76.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.812 -1.54 . . . . 0.3 110.536 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . . . -55.57 -35.87 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.264 -0.88 . . . . 0.3 111.17 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 34' ' ' LEU . 21.6 t -67.71 -46.99 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 120.707 -0.397 . . . . 0.33 110.261 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.549 ' CE2' HD11 ' A' ' 34' ' ' LEU . 52.3 m-85 -55.76 -38.48 69.9 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.38 110.602 177.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -55.95 -47.53 77.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.599 -0.728 . . . . 0.56 109.914 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -71.62 -25.73 62.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.558 -0.746 . . . . 1.42 111.086 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 36.5 mtmt -76.52 -22.14 54.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 1.1 111.397 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.06 -1.55 38.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.973 -0.632 . . . . 0.36 111.819 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.98 77.12 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.193 0.52 . . . . 1.26 110.261 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -70.11 -28.51 65.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.98 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -68.36 -41.01 81.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 2.18 111.022 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.3 tptt -70.49 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.556 -0.293 . . . . 0.68 110.467 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.54 -47.96 83.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.416 -0.587 . . . . 1.29 109.416 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HD3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.91 -44.76 94.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.13 -0.486 . . . . 3.39 110.121 173.474 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 10.1 tp10 -50.15 -56.16 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.83 . . . . 2.08 111.363 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 92.1 mt -74.71 -36.87 62.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 0.24 112.116 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' O ' HG13 ' A' ' 75' ' ' ILE . 96.7 m -62.3 -47.26 85.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.655 -0.418 . . . . 1.1 110.981 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.27 -39.23 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 2.09 110.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -63.71 -47.83 79.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.013 177.426 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.36 -43.02 96.9 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.741 -0.663 . . . . 0.19 110.646 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 71' ' ' CYS . 39.0 mt -60.85 -44.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.11 -0.496 . . . . 0.23 110.256 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.98 -46.14 88.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.956 -0.565 . . . . 2.35 109.907 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.45 -46.92 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.33 -0.85 . . . . 0.25 111.969 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.16 -39.62 57.71 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.958 -0.639 . . . . 0.27 112.122 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 27.3 ttt180 -67.14 -27.8 67.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.113 -0.699 . . . . 2.63 109.113 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.17 -53.22 13.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.98 -1.009 . . . . 1.96 110.237 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -91.83 26.55 2.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.617 -0.72 . . . . 1.35 111.784 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? 48.41 37.78 9.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.751 0.786 . . . . 4.67 112.757 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.09 165.96 23.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.015 -0.993 . . . . 1.6 110.542 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 25.4 t70 -50.63 109.71 0.34 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.791 -0.641 . . . . 0.82 111.486 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.404 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.0 p90 -68.9 -16.43 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.44 111.1 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.562 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 49.5 mtm180 -65.02 -40.2 94.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.274 -0.639 . . . . 3.04 109.274 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HG2' ' OD2' ' A' ' 84' ' ' ASP . 23.5 mm-40 -66.17 -38.06 87.14 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.898 -0.592 . . . . 1.46 109.697 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -58.23 -42.11 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.25 111.185 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.715 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.871 0.367 . . . . 0.24 110.843 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -74.1 -28.87 61.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.515 -0.55 . . . . 1.26 109.515 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.12 -45.42 81.15 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.689 -0.687 . . . . 0.23 109.564 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 25.4 m-85 -59.24 -40.16 85.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.8 -0.636 . . . . 0.24 110.332 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.79 -37.08 85.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.84 -0.618 . . . . 0.26 110.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 54.0 mtt180 -69.08 -44.15 73.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.328 -0.249 . . . . 1.5 110.328 175.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 91' ' ' ALA . 83.8 mt -55.97 -55.24 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.216 0.531 . . . . 0.28 109.858 176.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.35 -38.3 95.48 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.229 -0.896 . . . . 0.23 112.196 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 2.8 t-20 -71.78 -29.53 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.967 0.383 . . . . 1.64 110.463 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m -61.41 -47.23 86.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.304 -0.628 . . . . 0.94 109.304 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 49.1 m-85 -62.08 -40.3 95.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.107 -0.952 . . . . 0.43 110.194 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 97' ' ' ASN . 76.7 t80 -58.12 -41.2 83.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 0.43 110.919 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.3 mmmt -75.96 -28.23 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.74 110.976 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 1.7 pt-20 -93.04 3.75 55.19 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.767 0.318 . . . . 0.57 111.015 -174.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 73.58 23.6 2.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 1.47 110.915 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 30.5 tttt -102.04 57.68 0.82 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.731 0.776 . . . . 1.89 109.395 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.479 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 68.5 m-85 -64.58 -32.87 74.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.937 -1.029 . . . . 0.46 113.298 -169.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.98 -36.29 81.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.418 0.628 . . . . 1.57 109.798 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.93 -36.62 56.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.272 -0.876 . . . . 0.67 109.829 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.99 -59.94 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.357 -0.838 . . . . 0.22 110.821 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.634 HG23 ' SG ' ' A' ' 128' ' ' CYS . 17.8 mt -61.91 -35.11 66.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 0.51 111.467 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -54.6 -53.4 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.44 110.31 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 87.7 m-85 -78.21 -24.46 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.32 111.185 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 7.7 m-85 -61.77 -51.06 69.87 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 120.708 0.29 . . . . 0.32 110.479 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -64.09 -25.23 68.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 1.77 109.93 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 111' ' ' PHE . 16.7 mmtt -69.91 -31.79 69.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.751 -0.659 . . . . 1.25 110.003 171.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.634 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -67.84 -47.39 69.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.377 -0.972 . . . . 1.04 108.377 176.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -60.39 -28.01 67.88 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.267 -0.879 . . . . 0.38 110.32 174.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.45 -34.41 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.41 111.404 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.936 0.398 . . . . 0.53 111.413 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.715 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.66 98.22 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.495 0.664 . . . . 0.5 109.678 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 116' ' ' LEU . 66.9 ttt180 -69.86 103.41 2.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.825 -1.079 . . . . 2.87 110.738 -173.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.17 146.59 62.18 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.62 111.363 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -66.1 -27.11 49.75 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.474 2.783 . . . . 0.76 113.66 -169.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.12 -47.35 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.564 0.221 . . . . 2.2 110.951 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.7 t -72.58 -33.47 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.517 -0.473 . . . . 0.35 109.982 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.46 -46.76 87.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -54.35 -48.06 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.921 -1.036 . . . . 2.04 110.556 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.5 mptt -65.36 -42.45 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.497 -0.774 . . . . 1.48 112.019 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.634 ' SG ' HG23 ' A' ' 109' ' ' ILE . 44.1 t -60.51 -48.74 80.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.833 -0.621 . . . . 0.91 109.969 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 96.7 mt-30 -66.2 -36.02 81.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 1.38 110.308 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.468 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.8 tp-100 -61.95 -45.86 91.81 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.533 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.58 83.51 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.982 0.364 . . . . 0.29 111.982 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 7.1 pt-20 -74.35 -32.38 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.619 -0.433 . . . . 2.04 111.571 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 17.4 ptpt -75.0 -31.29 61.38 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.691 -0.404 . . . . 1.9 109.97 174.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 45.4 mt -65.16 -47.31 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.48 110.174 172.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 3.8 mt -63.47 -30.08 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.529 -0.305 . . . . 1.37 110.757 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -59.15 -37.33 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 3.36 110.09 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.52 -25.91 54.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 2.28 110.596 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 18.9 mm-40 -79.15 -27.8 42.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.072 -0.513 . . . . 1.75 111.612 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 46.9 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.573 -0.727 . . . . 2.99 110.876 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.601 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.954 0.407 . . . . 3.26 110.386 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 83.2 m-20 -78.27 -22.07 48.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.968 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 43.9 mttp -56.0 -40.3 73.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.806 0.336 . . . . 2.19 111.621 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.07 -40.16 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 2.83 110.674 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.62 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.6 tt0 -64.79 -32.57 74.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.051 0.453 . . . . 2.26 110.013 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -60.87 -33.84 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.637 -0.711 . . . . 0.46 110.361 177.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 59.2 mt -63.31 -43.84 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.405 . . . . 1.98 110.127 174.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 20' ' ' LEU . 87.0 tttt -62.44 -42.77 99.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 2.88 110.073 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 55.6 mm-40 -63.39 -36.51 83.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.54 110.751 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 24.6 ttpp -65.27 -38.29 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 0.8 109.973 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 46.6 mt-10 -70.49 -40.94 73.29 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.245 -0.434 . . . . 2.32 110.96 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 16' ' ' LYS . 2.8 mm? -64.52 -40.59 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.916 0.389 . . . . 0.6 110.489 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.78 -50.88 56.21 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 111.321 -0.711 . . . . 0.41 111.321 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 2.9 t-20 -59.07 -35.37 73.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 1.27 111.358 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.2 -49.58 73.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 0.93 110.652 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -65.89 -32.95 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.547 -0.751 . . . . 0.58 110.034 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.0 t80 -59.23 -38.34 79.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.059 -0.973 . . . . 0.68 110.525 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.2 mttt -76.05 -15.6 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.681 -0.691 . . . . 1.62 111.069 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -104.22 8.06 36.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.008 -0.542 . . . . 2.31 110.422 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 64.3 mttm 59.97 26.98 16.3 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.854 -0.612 . . . . 2.39 111.578 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 5.7 t0 -99.19 63.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 1.62 107.364 171.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 85.1 m-85 -62.67 -28.99 70.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.814 -1.084 . . . . 0.71 112.508 -168.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 37.4 m-20 -64.83 -49.34 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 1.93 109.906 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.0 m -67.88 -35.6 78.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 0.57 110.629 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.7 -57.44 12.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.39 110.408 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -59.98 -26.67 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.949 -1.023 . . . . 0.81 110.123 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -71.18 -49.26 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.321 -0.854 . . . . 1.41 111.322 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.2 m-70 -70.52 -34.72 72.62 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.563 -0.455 . . . . 0.47 110.068 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 5.5 m-85 -59.83 -35.95 75.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.803 174.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.26 -40.43 77.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.939 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' O ' HD13 ' A' ' 43' ' ' LEU . 47.2 tptt -61.58 -41.52 97.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.344 -0.844 . . . . 1.25 110.012 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.9 96.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.445 -0.343 . . . . 0.26 110.48 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.28 -30.1 70.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.632 . . . . 1.37 110.298 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.45 -38.26 65.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.48 -0.782 . . . . 2.78 110.097 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.0 mp -71.28 -50.2 35.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 0.49 110.666 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -139.8 106.33 6.92 Favored Pre-proline 0 N--CA 1.447 -0.61 0 C-N-CA 120.071 -0.652 . . . . 1.11 112.027 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' HG11 ' A' ' 77' ' ' VAL . 98.4 Cg_endo -76.86 -22.55 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.169 2.579 . . . . 0.64 113.084 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 p -77.21 -15.13 59.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.256 0.55 . . . . 0.46 111.178 -176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.535 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 16.8 t-20 -84.07 90.66 7.49 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.878 -0.786 . . . . 2.13 108.878 172.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.813 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.8 ptm -53.91 -26.87 27.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.164 -0.926 . . . . 1.05 112.022 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.2 m -59.11 -32.15 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.71 111.898 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 m-85 -69.76 -32.63 71.26 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.592 0.71 . . . . 0.44 109.662 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 64.6 mt -79.27 -41.23 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 114.711 -1.131 . . . . 0.33 110.447 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 74' ' ' ALA . 41.5 p -67.59 -39.37 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.217 -0.447 . . . . 0.28 110.667 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.41 -33.7 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.59 110.38 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -59.0 -49.1 79.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 1.34 109.905 171.153 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.61 -28.89 67.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.761 -1.109 . . . . 0.3 111.401 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.47 84.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.3 110.929 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 ' HB2' ' A' ' 34' ' ' LEU . 33.8 t -67.01 -43.27 89.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 120.428 -0.509 . . . . 0.33 110.524 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 65.1 m-85 -57.64 -33.41 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.286 -0.264 . . . . 0.38 110.286 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.34 -39.16 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.344 0.592 . . . . 0.56 109.725 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.99 -31.25 61.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.448 -0.796 . . . . 1.42 110.535 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 57' ' ' VAL . 44.7 mtmt -73.9 -23.27 59.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.498 -0.773 . . . . 1.1 111.507 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.58 15.08 48.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.927 -0.654 . . . . 0.36 111.798 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.83 59.99 0.95 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.521 0.329 . . . . 1.26 110.301 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.686 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 70.8 m-85 -58.96 -29.62 67.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.31 -0.405 . . . . 0.43 111.631 -172.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.8 m-80 -58.6 -44.06 89.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 2.18 110.555 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.9 tptt -77.41 -31.95 54.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.68 111.361 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 2.3 m -60.45 -42.44 96.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.164 -0.68 . . . . 1.29 109.164 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 1.1 tmt_? -62.73 -47.03 85.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 3.39 110.176 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 35.0 mm-40 -47.02 -55.91 7.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.83 0.706 . . . . 2.08 112.052 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 83.4 mt -75.61 -33.28 60.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.24 112.595 -171.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HB2' HG12 ' A' ' 95' ' ' ILE . 87.7 m -64.37 -51.74 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.552 -0.459 . . . . 1.1 111.853 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 2.5 pt-20 -69.53 -23.5 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 2.09 111.03 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.6 tpmt? -69.18 -48.36 62.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.293 -0.632 . . . . 1.23 109.293 172.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.602 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.19 -42.59 95.36 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.254 -0.884 . . . . 0.19 110.373 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.813 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 60.7 mt -61.11 -43.33 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.475 -0.33 . . . . 0.23 110.497 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.49 -48.14 80.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 2.35 109.829 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 45' ' ' PRO . 48.3 t -61.54 -45.1 99.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.169 -0.923 . . . . 0.25 111.701 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -70.72 -49.42 29.82 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.903 -0.59 . . . . 0.27 112.37 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 75' ' ' ILE . 20.6 ptt180 -66.52 -20.01 65.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.027 0.441 . . . . 2.63 109.823 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 32.9 tt0 -70.21 -50.58 38.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.595 -0.73 . . . . 1.96 110.116 171.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -85.63 7.06 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.521 -0.763 . . . . 1.35 111.43 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 61.69 36.79 16.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.688 0.756 . . . . 4.67 110.42 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.0 tp10 -76.5 167.54 21.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.796 -1.093 . . . . 1.6 110.739 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 8.4 t70 -44.16 110.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.159 0.912 . . . . 0.82 111.931 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.5 p90 -76.04 -20.45 57.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.154 0.502 . . . . 0.44 110.579 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 86.7 mtm180 -65.89 -42.97 89.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.551 -0.907 . . . . 3.04 108.551 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -61.12 -40.92 95.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.261 -1.336 . . . . 1.46 109.766 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 9.9 mt -57.34 -42.38 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.524 -0.762 . . . . 0.25 111.683 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.42 -37.74 88.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.906 0.384 . . . . 0.24 110.47 177.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.1 mmmt -68.6 -31.51 70.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.629 -0.508 . . . . 1.26 109.629 177.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.49 -45.31 84.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.23 110.114 173.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 21.6 m-85 -59.33 -43.41 92.73 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.104 -0.498 . . . . 0.24 111.213 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.77 94.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.716 -0.674 . . . . 0.26 110.245 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.48 -33.75 73.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.11 -0.495 . . . . 1.5 110.756 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.2 mt -62.72 -50.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.182 -0.673 . . . . 0.28 109.182 172.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.43 -39.06 94.36 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.683 -0.77 . . . . 0.23 111.771 176.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 90.9 m-20 -66.15 -40.54 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.484 0.179 . . . . 1.64 111.484 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -61.06 -41.35 96.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.89 0.376 . . . . 0.94 110.026 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 50.7 m-85 -68.04 -41.53 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.43 110.47 175.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.91 -43.5 73.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 0.43 110.832 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 29.9 mmmt -73.68 -27.96 61.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 0.74 110.944 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -93.08 3.05 56.4 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.555 -0.293 . . . . 0.57 111.31 -174.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 79.71 11.7 1.22 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.696 0.798 . . . . 1.47 111.564 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 60.7 mttm -92.26 66.42 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.624 0.726 . . . . 1.89 109.68 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.0 m-85 -67.58 -31.12 70.96 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.161 -0.927 . . . . 0.46 112.095 -175.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.24 -39.01 91.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 1.57 109.935 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.91 -35.59 50.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.67 109.935 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.7 -60.84 2.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.893 -0.594 . . . . 0.22 110.354 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.594 HG23 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -57.39 -35.79 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.606 . . . . 0.51 111.345 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -57.14 -56.88 16.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 0.44 110.612 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.2 m-85 -76.88 -20.91 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.32 111.116 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -62.13 -54.2 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.608 -0.515 . . . . 0.32 109.608 170.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.455 ' HA ' HD23 ' A' ' 116' ' ' LEU . 11.5 t-20 -61.34 -29.88 70.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 1.77 110.379 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 18.3 mmtt -64.51 -32.21 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 1.25 110.759 174.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.627 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.1 t -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.631 . . . . 1.04 109.295 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.2 mm? -58.16 -30.32 66.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.388 0.613 . . . . 0.38 109.802 173.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.11 -33.77 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.0 -1.0 . . . . 0.41 111.655 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -98.67 -49.8 4.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.53 111.705 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.662 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -145.47 98.0 3.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.123 0.487 . . . . 0.5 109.726 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' HD12 ' A' ' 116' ' ' LEU . 75.3 ttt180 -61.06 111.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.267 -0.879 . . . . 2.87 110.272 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.3 p -135.45 144.21 48.47 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.62 111.006 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 12.0 Cg_exo -65.99 -28.97 49.43 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.402 2.735 . . . . 0.76 113.551 -169.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.47 -39.93 77.41 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 122.997 0.186 . . . . 2.2 111.408 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.627 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.6 t -77.35 -33.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.585 -0.846 . . . . 0.35 109.812 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.55 -47.48 86.0 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.682 -0.859 . . . . 0.61 108.682 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -57.51 -47.76 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.6 -1.182 . . . . 2.04 110.857 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -65.46 -41.16 93.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.528 -0.76 . . . . 1.48 111.795 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.594 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.9 t -63.43 -46.98 83.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.91 110.113 -176.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.83 -31.95 72.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 1.38 110.231 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.17 -56.42 16.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.327 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.87 70.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.29 110.893 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -66.43 -50.23 64.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.456 -0.793 . . . . 2.04 110.502 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -70.35 -31.69 69.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.9 110.826 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.83 -45.11 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.48 110.319 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 139' ' ' GLU . 1.1 mt -61.11 -36.97 81.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.722 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -62.59 -34.37 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.121 0.486 . . . . 3.36 110.32 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -72.85 -26.43 61.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 2.28 110.903 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -79.07 -23.13 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.77 -0.65 . . . . 1.75 111.4 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.6 mm-40 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.821 -0.609 . . . . 2.99 110.748 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.675 -0.491 . . . . 3.26 109.675 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 90.8 m-20 -52.81 -22.99 6.02 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.623 0.369 . . . . 1.94 111.611 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.618 ' HG3' ' OD2' ' A' ' 44' ' ' ASP . 2.1 mptp? -59.93 -49.23 78.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.566 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.2 -43.92 90.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 2.83 110.344 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.635 ' HB3' HD23 ' A' ' 43' ' ' LEU . 24.6 tt0 -64.43 -27.28 68.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.92 -0.582 . . . . 2.26 110.726 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -62.72 -37.07 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.46 110.196 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 50.9 tp -64.92 -40.1 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 1.98 109.49 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -65.42 -45.27 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.552 -0.749 . . . . 2.88 110.313 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 57.6 mm-40 -60.64 -38.06 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.567 176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.674 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 22.2 ttpp -63.23 -39.82 95.69 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.777 -0.369 . . . . 0.8 110.18 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 72.9 mt-10 -69.99 -39.34 75.96 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.464 -0.335 . . . . 2.32 110.839 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.25 -38.48 87.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.86 0.362 . . . . 0.6 110.592 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -66.88 -48.13 62.65 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.359 -0.697 . . . . 0.41 111.359 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 3.3 t-20 -66.58 -33.11 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.27 110.57 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.94 -49.77 76.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.607 -0.724 . . . . 0.93 110.289 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -67.59 -34.02 76.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.278 -0.874 . . . . 0.58 109.93 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.46 -43.33 97.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.034 -0.985 . . . . 0.68 110.819 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 62.5 mttm -65.81 -22.89 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 1.62 111.044 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -98.25 7.78 45.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 2.31 110.504 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt 58.66 28.54 17.33 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.381 -0.827 . . . . 2.39 112.593 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.8 t0 -87.89 68.16 9.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.185 -1.413 . . . . 1.62 107.185 171.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' O ' HG11 ' A' ' 57' ' ' VAL . 28.3 m-85 -57.75 -39.0 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.033 -0.985 . . . . 0.71 113.359 -163.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -66.38 -47.88 71.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.317 -0.553 . . . . 1.93 110.256 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.3 m -62.51 -40.01 95.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 0.57 110.618 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.77 41.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.905 -0.589 . . . . 0.39 110.328 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.0 -26.5 67.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.262 -0.881 . . . . 0.81 110.381 -179.212 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.605 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.2 tppt? -68.83 -50.59 48.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.79 . . . . 1.41 110.906 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.4 m-70 -73.74 -31.14 63.21 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.678 -0.409 . . . . 0.47 109.996 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.2 m-85 -60.85 -42.74 98.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 0.48 109.575 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.639 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 17.0 t70 -65.71 -43.06 90.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.335 -0.848 . . . . 1.51 110.059 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.3 tptm -60.6 -41.69 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.408 -0.814 . . . . 1.25 110.154 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.61 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.609 -0.269 . . . . 0.26 110.594 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -71.05 -31.8 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.334 0.588 . . . . 1.37 110.238 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.0 -37.31 81.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.682 . . . . 2.78 109.506 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.5 mp -76.84 -39.28 51.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.901 . . . . 0.49 110.918 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.618 ' OD2' ' HG3' ' A' ' 11' ' ' LYS . 5.3 t70 -142.68 92.31 7.18 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.728 -0.389 . . . . 1.11 111.307 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.41 -12.65 22.85 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.01 2.474 . . . . 0.64 112.686 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 p -89.95 -16.8 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.151 0.5 . . . . 0.46 111.101 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 19.7 t-20 -80.39 94.73 6.22 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.154 -0.684 . . . . 2.13 109.154 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.771 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.1 ptm -54.77 -27.59 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.297 -0.865 . . . . 1.05 112.066 -173.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 m -62.16 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.419 -0.355 . . . . 0.71 111.605 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.762 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.6 m-85 -81.14 -16.76 52.05 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 121.867 0.842 . . . . 0.44 110.03 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 60.8 mt -87.38 -36.98 10.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-O 121.39 0.614 . . . . 0.33 109.618 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 74' ' ' ALA . 46.1 p -73.0 -31.15 64.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.28 111.111 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.762 ' ND2' ' HA ' ' A' ' 50' ' ' TYR . 31.4 p30 -70.29 -35.85 73.98 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.838 -0.43 . . . . 1.59 109.838 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.639 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 18.5 mt-30 -58.82 -50.33 74.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.227 0.537 . . . . 1.34 110.405 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.7 -34.28 67.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.972 -1.013 . . . . 0.3 111.286 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.06 80.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.814 -0.63 . . . . 0.3 111.402 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' A' ' 34' ' ' LEU . 40.9 t -72.34 -34.05 47.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 120.716 -0.393 . . . . 0.33 110.747 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . 72.5 m-85 -64.48 -38.15 90.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.165 0.507 . . . . 0.38 109.716 175.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -57.61 -49.7 75.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.276 -0.875 . . . . 0.56 110.169 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -67.37 -33.95 76.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 1.42 111.406 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -64.45 -32.32 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.254 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.87 -5.44 30.77 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.248 -0.741 . . . . 0.36 111.248 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.66 68.36 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 1.26 110.34 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.43 -30.02 71.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.884 -0.598 . . . . 0.43 110.263 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.12 -34.87 72.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.643 -0.708 . . . . 2.18 111.499 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 1.4 tmtm? -86.32 -30.46 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.513 -0.312 . . . . 0.68 110.244 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 25.4 t -58.87 -47.4 85.03 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.952 -0.388 . . . . 1.29 109.952 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -72.34 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 3.39 110.691 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 8.1 tp10 -65.44 -55.16 19.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.37 0.605 . . . . 2.08 110.28 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 46.4 mt -72.35 -35.95 68.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.515 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.489 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -62.73 -46.53 87.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.645 -0.422 . . . . 1.1 111.667 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 95' ' ' ILE . 1.7 mm-40 -61.84 -34.42 75.93 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.937 0.399 . . . . 2.09 110.396 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -64.24 -51.32 64.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.587 . . . . 1.23 110.189 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -57.19 -42.66 81.65 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.19 110.409 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.771 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 33.3 mt -62.87 -42.97 98.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.09 -0.504 . . . . 0.23 110.934 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.36 -47.85 83.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 2.35 109.789 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.96 -48.8 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.882 -1.053 . . . . 0.25 111.586 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.416 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.38 -38.62 87.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.987 -0.625 . . . . 0.27 112.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -69.15 -25.6 64.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.439 -0.578 . . . . 2.63 109.439 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.49 -53.35 9.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.85 . . . . 1.96 110.509 174.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.72 -0.41 30.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.308 -0.86 . . . . 1.35 111.902 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 64.5 49.82 2.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 4.67 110.397 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.0 tp10 -90.65 167.56 12.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.888 -1.051 . . . . 1.6 110.148 -178.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -44.58 107.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.716 0.806 . . . . 0.82 112.038 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.9 p90 -71.85 -20.71 61.77 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.331 0.586 . . . . 0.44 110.257 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -66.24 -41.05 90.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.686 -0.688 . . . . 3.04 109.294 176.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -63.57 -37.42 87.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.723 -1.126 . . . . 1.46 110.039 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 11.8 mt -59.82 -43.44 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.782 -0.645 . . . . 0.25 111.282 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.706 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.17 -39.87 94.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.382 -0.372 . . . . 0.24 110.314 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -65.18 -32.46 74.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.006 0.431 . . . . 1.26 109.863 177.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.64 -44.06 82.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 0.23 110.0 173.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.4 m-85 -60.5 -43.07 97.42 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.29 -0.413 . . . . 0.24 110.96 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.55 -30.65 71.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 0.26 110.646 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 36.2 ttm180 -78.09 -34.55 50.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.17 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.1 mt -62.57 -50.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.456 0.646 . . . . 0.28 109.352 171.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.51 -31.34 79.35 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.543 -0.837 . . . . 0.23 111.451 176.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.1 t30 -71.96 -39.07 69.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.526 0.203 . . . . 1.64 110.873 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 p -63.34 -41.11 98.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.94 110.459 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 52.3 m-85 -67.35 -38.44 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.43 110.271 174.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.17 -29.05 68.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.385 -0.825 . . . . 0.43 110.855 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -84.05 -35.28 23.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.346 -0.388 . . . . 0.74 111.035 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 5.1 pt-20 -88.17 1.93 53.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.356 . . . . 0.57 111.132 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' TYR . 37.5 mt-10 75.99 19.16 1.91 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.478 -0.783 . . . . 1.47 111.868 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.3 mttp -93.16 61.31 3.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.271 0.557 . . . . 1.89 109.658 171.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.501 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 94.8 m-85 -67.22 -24.98 65.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.46 111.509 -175.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 135' ' ' LEU . 71.3 mmtt -57.64 -49.81 75.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.374 0.606 . . . . 1.57 109.395 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.79 -32.08 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.897 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.518 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.01 -56.56 20.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.22 110.36 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.597 HG23 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -61.27 -33.11 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.51 111.214 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -56.99 -57.33 12.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 0.44 110.083 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 90.8 m-85 -75.8 -20.43 58.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.739 -0.664 . . . . 0.32 111.125 -177.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 7.6 m-30 -62.76 -54.15 43.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.832 -0.347 . . . . 0.32 110.094 171.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.55 -26.86 67.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 1.77 110.531 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.9 mmtt -67.97 -34.26 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.25 110.578 173.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.708 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.4 t -72.11 -41.97 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.455 -0.572 . . . . 1.04 109.455 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.69 -34.94 67.9 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.265 -0.643 . . . . 0.38 109.265 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -61.72 -52.52 63.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.874 -1.057 . . . . 0.41 111.525 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.27 -49.46 10.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.897 0.332 . . . . 0.53 111.897 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.706 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 7.1 t-160 -147.3 97.37 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.2 0.524 . . . . 0.5 110.113 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -63.4 118.39 8.01 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.37 -0.832 . . . . 2.87 110.864 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -139.71 137.64 18.86 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.811 0.815 . . . . 0.62 111.291 -178.581 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 6.9 Cg_endo -46.07 -40.16 20.69 Favored 'Trans proline' 0 C--N 1.342 0.237 1 C-N-CA 125.56 4.174 . . . . 0.76 114.623 -177.094 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -69.0 -39.39 79.38 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 121.263 -0.175 . . . . 2.2 111.467 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 115' ' ' SER . 14.8 t -72.53 -35.99 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.183 -0.607 . . . . 0.35 109.856 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.07 -48.93 79.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.767 -0.827 . . . . 0.61 108.767 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -53.75 -50.18 66.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.741 -1.118 . . . . 2.04 110.757 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.53 -41.43 98.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.243 -0.89 . . . . 1.48 111.945 -178.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' HG23 ' A' ' 109' ' ' ILE . 41.3 t -66.17 -45.35 81.19 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.055 -0.52 . . . . 0.91 110.08 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.34 -34.18 76.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.178 -0.464 . . . . 1.38 110.182 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -65.15 -52.51 54.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 1.72 110.402 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.03 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.867 -0.606 . . . . 0.29 112.253 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.7 pt-20 -69.8 -45.53 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.314 -0.554 . . . . 2.04 111.317 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 16.7 ptmt -65.33 -38.33 89.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.425 -0.51 . . . . 1.9 110.149 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 40.2 mt -57.9 -52.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.48 110.664 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.567 ' HA ' ' OE1' ' A' ' 138' ' ' GLN . 29.6 tp -65.82 -35.68 81.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 1.37 111.108 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 61.3 mtpt -66.21 -28.66 68.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.674 0.273 . . . . 3.36 110.748 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 42.2 mt-10 -73.32 -21.99 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 2.28 110.212 173.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 52.2 mt-30 -86.21 -41.14 14.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 1.75 111.678 -174.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 5.8 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 119.239 -0.41 . . . . 2.99 111.09 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.607 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.308 0.575 . . . . 3.26 110.379 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 5.2 m-20 -73.33 -20.15 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.714 . . . . 1.94 112.413 -174.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.607 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mttt -53.77 -49.28 68.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.938 0.348 . . . . 2.19 111.938 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 35.9 mtmm -75.62 -29.76 59.32 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.655 -0.418 . . . . 2.83 110.722 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' HB3' HD23 ' A' ' 43' ' ' LEU . 28.2 tt0 -61.82 -33.99 75.13 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.297 0.57 . . . . 2.26 109.594 173.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -62.62 -35.28 79.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.207 -0.906 . . . . 0.46 110.554 176.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 27.9 mt -60.02 -38.13 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 1.98 110.543 174.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -70.76 -41.27 71.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 2.88 110.186 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -65.1 -32.14 73.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.608 -0.269 . . . . 0.54 110.633 176.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 25.6 ttpp -66.39 -39.87 89.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.8 109.718 174.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.95 -45.83 84.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.098 -0.501 . . . . 2.32 110.733 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.16 -45.53 92.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.6 110.631 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -60.53 -53.19 47.5 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 111.606 -0.598 . . . . 0.41 111.606 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.3 t30 -59.22 -33.36 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.879 0.371 . . . . 1.27 111.576 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.32 -50.24 60.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.356 . . . . 0.93 110.162 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.14 77.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.471 0.653 . . . . 0.58 109.826 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.1 t80 -55.91 -38.7 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.701 -1.136 . . . . 0.68 110.587 175.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 66.5 mttm -75.17 -20.31 59.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.73 -0.668 . . . . 1.62 111.422 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -93.8 9.48 37.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.649 -0.251 . . . . 2.31 110.9 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 63.19 19.65 11.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.19 0.519 . . . . 2.39 111.444 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.65 63.16 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.109 -1.071 . . . . 1.62 108.109 171.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -63.64 -35.98 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.518 -0.765 . . . . 0.71 112.783 -168.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.604 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -63.35 -46.34 87.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.951 -0.699 . . . . 1.93 109.607 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.4 m -64.27 -35.75 81.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.552 -0.749 . . . . 0.57 110.924 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -55.65 30.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.107 0.479 . . . . 0.39 109.883 174.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.906 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -57.03 -30.62 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.812 -1.085 . . . . 0.81 110.102 178.394 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.604 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 1.3 tppt? -63.07 -52.2 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.603 -0.726 . . . . 1.41 111.322 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -74.75 -33.68 62.37 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.764 0.316 . . . . 0.47 110.702 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 6.1 m-85 -60.68 -43.4 97.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.161 -0.472 . . . . 0.48 110.398 176.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.14 -38.91 86.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 1.51 109.977 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' O ' HD13 ' A' ' 43' ' ' LEU . 53.5 tptt -57.23 -46.17 83.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.368 -0.833 . . . . 1.25 110.109 174.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.92 69.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.26 111.0 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -71.09 -32.35 68.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 1.37 110.902 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.16 -26.43 59.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.155 0.502 . . . . 2.78 109.851 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -78.0 -38.84 44.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.49 110.269 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 53.7 t0 -134.76 95.14 15.91 Favored Pre-proline 0 C--O 1.214 -0.792 0 CA-C-N 116.004 -0.543 . . . . 1.11 109.903 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.7 -20.03 35.63 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.903 2.402 . . . . 0.64 113.178 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -89.91 34.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.932 0.873 . . . . 0.46 110.474 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.799 ' ND2' ' HB2' ' A' ' 50' ' ' TYR . 5.5 p-10 -97.19 120.28 37.26 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.213 -1.358 . . . . 2.13 111.87 -172.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.646 ' HE1' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -80.94 -44.21 18.57 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.752 -0.833 . . . . 1.05 108.752 164.815 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 m -65.85 -44.13 86.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.507 -0.77 . . . . 0.71 112.426 -171.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.799 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 16.3 m-85 -67.67 -18.97 65.12 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.451 -0.499 . . . . 0.44 110.634 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.772 HG13 ' ND2' ' A' ' 47' ' ' ASN . 63.1 mt -84.86 -44.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.857 0.36 . . . . 0.33 110.52 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 91' ' ' ALA . 77.6 p -65.66 -36.57 84.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.28 111.031 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 25.6 m-80 -70.57 -31.91 69.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 1.59 110.517 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 39.9 mt-30 -63.02 -46.98 85.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 1.34 109.888 170.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.58 -41.7 77.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.072 -0.967 . . . . 0.3 110.816 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.37 70.3 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.614 -0.721 . . . . 0.3 110.811 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.906 HG11 ' HB2' ' A' ' 34' ' ' LEU . 57.7 t -65.02 -49.28 80.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 116.334 -0.393 . . . . 0.33 110.25 177.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 66.8 m-85 -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.256 0.347 . . . . 0.38 110.632 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -58.28 -46.29 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.56 110.048 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.02 -28.02 63.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.828 -0.624 . . . . 1.42 110.826 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.606 ' HG3' HG12 ' A' ' 57' ' ' VAL . 13.1 mtmt -71.4 -22.57 61.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.464 -0.789 . . . . 1.1 110.708 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.81 -2.03 48.58 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.584 -0.607 . . . . 0.36 111.584 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.63 80.25 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 1.26 109.617 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -70.68 -28.95 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.43 110.845 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 38.7 m-80 -67.99 -36.34 79.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 2.18 110.982 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.7 tptt -76.18 -35.03 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.808 -0.357 . . . . 0.68 110.837 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.84 -49.82 75.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.29 110.414 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -66.72 -29.56 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 3.39 109.863 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 12.7 tp10 -63.09 -56.8 13.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.326 -0.852 . . . . 2.08 110.785 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 39.9 mt -68.88 -40.04 79.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.24 112.121 -174.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.595 ' O ' HG13 ' A' ' 75' ' ' ILE . 99.2 m -56.83 -48.2 78.57 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.787 -0.365 . . . . 1.1 111.669 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -37.5 87.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.88 0.372 . . . . 2.09 110.811 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' NZ ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -47.57 83.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 1.23 110.306 175.364 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.7 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.89 -44.75 94.05 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.873 -0.603 . . . . 0.19 109.954 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 71' ' ' CYS . 53.1 mt -57.85 -44.17 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.957 -0.565 . . . . 0.23 110.435 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.33 -41.69 94.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.1 -0.5 . . . . 2.35 110.368 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.631 HG23 ' NZ ' ' A' ' 73' ' ' LYS . 39.2 t -68.99 -44.52 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.445 -0.798 . . . . 0.25 111.256 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.29 -39.82 61.58 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.133 -0.556 . . . . 0.27 112.024 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -67.19 -25.82 66.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.462 0.649 . . . . 2.63 109.287 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.7 tt0 -65.14 -54.6 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.952 -1.022 . . . . 1.96 110.987 173.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -95.36 9.13 41.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.026 -0.988 . . . . 1.35 111.241 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 60.69 44.54 11.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 4.67 111.126 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.86 167.61 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.067 -0.97 . . . . 1.6 109.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 30.4 t70 -46.31 110.6 0.29 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.647 0.592 . . . . 0.82 112.168 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.531 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.3 p90 -71.12 -20.18 62.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.134 0.492 . . . . 0.44 110.466 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 79.7 mtm180 -65.64 -38.84 90.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.855 -0.794 . . . . 3.04 108.855 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 60.0 tp60 -67.09 -39.02 86.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.037 -1.438 . . . . 1.46 110.118 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.646 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 13.1 mt -59.85 -39.82 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.743 -0.662 . . . . 0.25 111.265 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.57 -34.28 77.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.894 0.378 . . . . 0.24 110.568 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.1 mmmt -66.65 -35.12 79.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.41 -0.589 . . . . 1.26 109.41 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.95 -50.42 70.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.4 -0.818 . . . . 0.23 110.223 174.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -55.95 -44.37 78.36 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.24 111.568 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.3 -38.52 91.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.914 -0.585 . . . . 0.26 110.864 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -73.31 -34.94 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.162 -0.215 . . . . 1.5 110.771 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 91' ' ' ALA . 84.6 mt -58.77 -54.68 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.365 -0.606 . . . . 0.28 109.365 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.09 -37.88 95.2 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.367 -0.833 . . . . 0.23 112.027 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 1.3 t-20 -69.41 -28.28 66.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.657 0.265 . . . . 1.64 110.738 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -67.0 -49.6 64.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.502 -0.555 . . . . 0.94 109.502 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 56.7 m-85 -56.08 -41.65 75.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.584 -0.735 . . . . 0.43 109.89 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 66.6 t80 -55.71 -42.88 75.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.169 -0.923 . . . . 0.43 111.184 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.6 mmmt -78.06 -25.5 47.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.74 111.154 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -93.48 4.84 53.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.232 -0.44 . . . . 0.57 110.692 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 77.75 11.99 1.98 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.897 0.879 . . . . 1.47 111.092 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 13.7 tttp -93.92 57.66 2.48 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.639 -0.71 . . . . 1.89 109.956 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.687 ' HB2' HD23 ' A' ' 135' ' ' LEU . 84.6 m-85 -64.51 -31.88 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.029 0.751 . . . . 0.46 113.029 -171.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.3 -39.63 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.253 0.549 . . . . 1.57 109.626 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 104' ' ' LYS . 2.3 m-20 -77.28 -31.97 55.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.24 -0.891 . . . . 0.67 110.499 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.04 -57.31 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.172 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 128' ' ' CYS . 7.9 mt -58.41 -35.9 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.51 111.489 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -52.92 -59.63 4.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.928 0.394 . . . . 0.44 110.455 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.42 -20.62 54.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.32 111.228 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -60.24 -56.5 20.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.872 -0.418 . . . . 0.32 109.872 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.71 -24.5 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.216 0.531 . . . . 1.77 110.824 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.5 mmtm -71.67 -31.73 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.626 -0.716 . . . . 1.25 111.013 175.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.61 ' HB3' HG11 ' A' ' 124' ' ' VAL . 44.2 t -71.67 -41.41 68.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.83 -0.804 . . . . 1.04 108.83 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -60.04 -21.82 61.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.618 -0.719 . . . . 0.38 109.926 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -78.35 -34.57 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.44 -0.8 . . . . 0.41 111.451 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -97.48 -50.65 4.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.84 0.311 . . . . 0.53 111.84 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -143.27 97.93 3.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.493 0.663 . . . . 0.5 109.702 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 116' ' ' LEU . 4.9 ttm180 -66.11 106.83 1.73 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.857 -1.065 . . . . 2.87 110.912 -175.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.6 p -125.67 144.84 49.47 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.832 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.0 Cg_exo -64.71 -25.69 61.15 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.443 2.762 . . . . 0.76 113.105 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.14 -46.98 75.57 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.53 -0.305 . . . . 2.2 110.94 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.8 t -73.88 -29.72 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.354 -0.538 . . . . 0.35 110.191 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.39 -49.35 71.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.843 -0.799 . . . . 0.61 108.843 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -54.37 -48.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.062 -0.972 . . . . 2.04 110.515 173.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -41.49 96.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.228 -0.897 . . . . 1.48 111.977 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 109' ' ' ILE . 50.3 t -64.66 -44.5 90.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.515 . . . . 0.91 110.085 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 97.5 mt-30 -63.32 -42.2 98.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.126 -0.488 . . . . 1.38 109.964 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -59.42 -55.36 35.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 1.72 110.828 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.38 -31.56 72.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.595 -0.275 . . . . 0.29 111.416 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.5 -48.23 64.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.408 -0.36 . . . . 2.04 110.647 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 15.9 ptpt -70.65 -35.91 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 1.9 110.61 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 50.5 mt -61.94 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.48 110.49 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 105' ' ' TYR . 2.4 tm? -58.28 -38.16 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 1.37 110.046 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' HA ' ' OE2' ' A' ' 139' ' ' GLU . 18.4 ttmm -70.37 -30.06 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 3.36 110.912 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 69.7 mt-10 -71.88 -26.99 62.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 2.28 109.852 174.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 84.7 mm-40 -85.85 -7.59 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 1.75 111.375 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 45.4 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.515 -0.755 . . . . 2.99 110.032 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 18.4 tt0 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.893 -0.41 . . . . 3.26 109.893 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.545 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 78.9 m-20 -74.92 -27.39 60.19 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 122.204 -0.31 . . . . 1.94 111.63 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 44' ' ' ASP . 97.5 mttt -58.73 -43.83 90.29 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.062 0.458 . . . . 2.19 110.728 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 -47.1 76.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.907 -0.588 . . . . 2.83 110.482 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.731 ' HB3' HD23 ' A' ' 43' ' ' LEU . 27.0 tt0 -64.3 -28.36 69.66 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.669 -0.696 . . . . 2.26 110.695 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.87 -37.57 87.42 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.875 0.369 . . . . 0.46 110.564 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 3.3 tm? -62.6 -43.14 99.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.778 -0.823 . . . . 1.98 108.778 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' HD23 ' A' ' 20' ' ' LEU . 54.3 tttp -60.57 -46.95 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.74 . . . . 2.88 110.221 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 63.2 mm-40 -60.55 -38.13 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.361 . . . . 0.54 111.612 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.33 -39.03 85.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.547 -0.461 . . . . 0.8 110.415 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 21.4 mm-40 -65.97 -45.73 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 2.32 110.268 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.2 mm? -59.0 -41.16 87.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.513 . . . . 0.6 110.489 175.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -63.79 -53.25 39.18 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.41 112.09 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 65.4 t30 -64.41 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.178 0.513 . . . . 1.27 110.461 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.13 -50.46 71.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.763 -0.653 . . . . 0.93 110.384 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.55 94.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.58 110.097 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.7 t80 -53.62 -41.01 66.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.888 -1.051 . . . . 0.68 110.702 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 65.6 mttm -73.6 -15.97 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 1.62 111.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -106.6 14.87 26.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.549 -0.296 . . . . 2.31 111.056 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 62.66 16.46 8.91 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 2.39 111.612 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 2.0 m-20 -86.2 58.41 5.04 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.666 -0.864 . . . . 1.62 108.666 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' HG11 ' A' ' 57' ' ' VAL . 79.4 m-85 -60.74 -39.66 89.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.71 112.434 -170.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 m-20 -62.39 -47.08 85.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.112 0.482 . . . . 1.93 110.227 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 86.1 m -65.87 -38.34 88.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.534 -0.757 . . . . 0.57 110.829 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.86 -54.29 48.77 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.383 0.611 . . . . 0.39 110.172 175.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -59.59 -28.82 67.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.572 -1.195 . . . . 0.81 110.225 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -71.72 -45.38 61.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 1.41 111.189 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.7 m-70 -74.02 -32.48 63.37 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.675 -0.41 . . . . 0.47 109.922 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 53' ' ' ASN . 6.6 m-30 -61.37 -41.8 97.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.94 -0.573 . . . . 0.48 109.679 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 38.7 t70 -64.63 -41.61 96.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 1.51 110.208 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' O ' HD13 ' A' ' 43' ' ' LEU . 21.4 tptm -63.02 -44.98 94.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.092 -0.958 . . . . 1.25 110.244 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.38 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.26 110.699 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 51' ' ' ILE . 60.1 tttm -69.55 -34.61 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 1.37 110.563 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -71.4 -32.0 67.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 2.78 109.681 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -78.12 -47.11 18.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.947 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 13.5 t70 -139.0 95.52 9.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 1.11 111.166 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.92 -5.28 15.78 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 123.337 2.691 . . . . 0.64 112.759 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -94.14 -7.43 42.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.314 0.578 . . . . 0.46 110.715 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 14.2 t-20 -91.74 92.65 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.383 -0.826 . . . . 2.13 109.257 175.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.749 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 18.9 ptm -55.09 -28.26 51.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.537 -0.756 . . . . 1.05 111.745 -174.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 m -56.21 -40.02 73.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.136 -0.483 . . . . 0.71 111.358 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 19.1 m-85 -65.0 -36.49 84.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.636 0.731 . . . . 0.44 109.914 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.4 mt -74.79 -41.48 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 114.839 -1.073 . . . . 0.33 110.786 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.7 p -65.8 -29.63 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 0.28 110.321 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.2 m-20 -68.89 -41.95 77.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.727 -0.67 . . . . 1.59 109.717 174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 22.1 mt-30 -54.59 -52.07 63.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.506 0.67 . . . . 1.34 110.334 173.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.83 -36.99 70.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.716 -1.129 . . . . 0.3 111.273 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.56 81.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.3 111.272 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 34' ' ' LEU . 24.5 t -68.05 -45.0 84.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 C-N-CA 120.791 -0.364 . . . . 0.33 110.361 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 67.2 m-85 -57.08 -35.28 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.38 110.461 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 35.3 t80 -59.85 -40.47 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.56 109.725 174.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.35 -21.38 49.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 1.42 110.802 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.8 mtmt -83.95 -16.75 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.85 -0.614 . . . . 1.1 111.108 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.24 -3.68 56.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.36 111.728 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.06 75.71 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.965 0.412 . . . . 1.26 110.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -68.04 -34.95 77.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.144 -0.48 . . . . 0.43 110.263 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -59.77 -42.86 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 2.18 110.922 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 57.4 tptt -73.3 -32.27 64.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.573 -0.285 . . . . 0.68 110.902 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.85 -45.63 91.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.272 -0.64 . . . . 1.29 109.272 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.822 ' HG2' HG23 ' A' ' 95' ' ' ILE . 3.0 tmm_? -61.14 -48.42 81.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 3.39 109.357 173.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -50.6 -53.96 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.762 -1.108 . . . . 2.08 111.65 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 64.4 mt -75.51 -33.72 60.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.809 0.67 . . . . 0.24 112.809 -173.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.573 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.9 m -62.93 -47.48 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.413 -0.515 . . . . 1.1 111.086 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 95' ' ' ILE . 3.4 mt-10 -65.18 -29.44 70.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 2.09 110.875 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 2.4 tpmt? -68.84 -48.11 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 1.23 109.55 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -61.38 -40.12 93.15 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.474 -0.785 . . . . 0.19 110.391 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.749 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 36.8 mt -63.23 -42.58 96.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.537 -0.301 . . . . 0.23 110.557 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.1 -48.24 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.621 -0.511 . . . . 2.35 109.621 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.44 -46.88 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.231 -0.895 . . . . 0.25 111.645 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.43 52.12 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.705 -0.68 . . . . 0.27 112.208 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -64.77 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.189 0.518 . . . . 2.63 109.631 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.16 -51.71 62.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.202 -0.908 . . . . 1.96 110.724 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.55 11.59 12.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.396 -0.82 . . . . 1.35 111.471 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 56.89 42.94 25.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.609 0.719 . . . . 4.67 110.423 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.8 tp10 -83.37 166.1 18.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 1.6 110.688 -175.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.551 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 35.0 t70 -50.2 106.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.445 -0.798 . . . . 0.82 111.682 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -65.61 -18.41 65.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.067 0.461 . . . . 0.44 110.777 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.7 mtm180 -63.25 -37.44 87.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.653 -0.499 . . . . 3.04 109.653 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -65.99 -42.44 89.79 Favored 'General case' 0 CA--C 1.522 -0.128 0 O-C-N 123.546 0.528 . . . . 1.46 110.382 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.609 HG13 ' SD ' ' A' ' 48' ' ' MET . 18.2 mt -54.91 -42.31 62.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.693 -0.685 . . . . 0.25 111.391 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.59 -40.49 97.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.762 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 25.5 mmmt -68.78 -30.34 68.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.368 -0.605 . . . . 1.26 109.368 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.2 -48.93 73.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.521 -0.763 . . . . 0.23 109.765 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.89 -40.26 72.75 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.048 -0.524 . . . . 0.24 111.187 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.05 -36.9 78.21 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.151 -0.477 . . . . 0.26 111.237 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -70.96 -34.74 71.74 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.845 -0.342 . . . . 1.5 110.09 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.822 HG23 ' HG2' ' A' ' 68' ' ' ARG . 70.3 mt -58.03 -53.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.248 -0.649 . . . . 0.28 109.248 171.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.66 -37.11 94.23 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.825 -0.702 . . . . 0.23 112.317 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 6.2 m-80 -69.34 -37.34 77.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.8 -0.235 . . . . 1.64 111.414 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.3 p -61.75 -43.53 98.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.496 -0.557 . . . . 0.94 109.496 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 39.1 m-85 -64.22 -42.8 96.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.678 -0.692 . . . . 0.43 110.301 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HB2' ' OH ' ' A' ' 112' ' ' TYR . 90.7 t80 -55.7 -44.07 77.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.363 -0.835 . . . . 0.43 111.072 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -72.38 -30.69 64.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.177 -0.465 . . . . 0.74 110.86 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.7 pt-20 -91.91 -1.23 57.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.408 -0.36 . . . . 0.57 111.584 -173.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 79.44 23.26 0.51 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.968 0.793 . . . . 1.47 111.521 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 88.0 mttt -101.22 60.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.141 0.496 . . . . 1.89 110.1 172.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.566 ' HB2' HD13 ' A' ' 135' ' ' LEU . 68.7 m-85 -64.35 -26.11 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.46 111.953 -175.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -59.05 -47.48 85.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.249 0.547 . . . . 1.57 109.71 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.11 -28.24 42.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.67 110.67 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -58.51 -56.73 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.067 0.46 . . . . 0.22 110.029 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 131' ' ' ALA . 7.0 mm -60.91 -34.86 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.51 111.162 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -54.25 -56.72 15.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.44 110.188 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -79.02 -20.48 48.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.821 -0.627 . . . . 0.32 111.281 -176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 100' ' ' PHE . 6.2 m-30 -59.35 -57.52 12.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.123 -0.325 . . . . 0.32 110.123 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -61.29 -25.53 67.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 1.77 110.841 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 9.9 mmtm -69.5 -32.05 70.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 1.25 110.592 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.602 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.9 t -71.43 -45.56 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.15 -0.685 . . . . 1.04 109.15 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.9 -28.7 62.27 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.963 -0.562 . . . . 0.38 109.761 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -68.42 -46.01 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.25 -0.886 . . . . 0.41 111.495 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -86.02 -49.91 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.53 111.279 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.714 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 6.0 t-160 -149.74 98.01 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.096 -0.502 . . . . 0.5 109.877 -175.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.76 122.48 14.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 2.87 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 123' ' ' ASP . 1.1 p -139.46 136.62 17.94 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.549 0.69 . . . . 0.62 111.166 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -46.84 -31.93 11.64 Favored 'Trans proline' 0 C--N 1.342 0.229 1 C-N-CA 125.337 4.024 . . . . 0.76 114.262 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 121' ' ' THR . 6.7 p-10 -72.05 -43.4 64.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.672 0.249 . . . . 2.2 111.672 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -76.16 -27.29 17.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.213 -0.595 . . . . 0.35 109.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.53 -47.25 70.45 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.489 -0.93 . . . . 0.61 108.489 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -58.41 -42.52 87.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.071 -0.968 . . . . 2.04 110.711 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -69.62 -42.83 73.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.371 -0.832 . . . . 1.48 111.979 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.95 -33.88 77.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.043 0.449 . . . . 0.91 110.403 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.58 -42.47 67.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 1.38 109.977 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 44.9 tp60 -63.4 -54.58 34.58 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.941 -0.572 . . . . 1.72 110.873 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 109' ' ' ILE . . . -60.92 -31.66 71.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.919 -0.312 . . . . 0.29 111.263 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' N ' HD11 ' A' ' 109' ' ' ILE . 28.4 tt0 -71.52 -47.82 52.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.543 -0.463 . . . . 2.04 110.345 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -65.87 -33.43 75.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.678 0.275 . . . . 1.9 110.523 176.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.9 mt -67.03 -49.73 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.185 0.517 . . . . 0.48 110.41 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 105' ' ' TYR . 37.6 tp -66.16 -27.86 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 1.37 110.606 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.0 tttm -64.69 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 3.36 110.137 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -72.03 -26.59 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.996 -0.547 . . . . 2.28 110.746 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.69 -20.79 59.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.775 -0.648 . . . . 1.75 110.978 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.627 -0.701 . . . . 2.99 110.834 179.563 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.538 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 9.3 pt-20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.284 0.564 . . . . 3.26 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.48 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 94.1 m-20 -84.38 -21.69 30.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.009 -0.541 . . . . 1.94 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 67.7 mmtt -57.17 -58.56 7.69 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.855 0.359 . . . . 2.19 111.585 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.28 -43.79 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 2.83 110.682 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.713 ' HB3' HD23 ' A' ' 43' ' ' LEU . 13.5 tt0 -61.76 -32.46 72.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.752 -0.658 . . . . 2.26 110.868 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.554 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.96 -35.42 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.46 110.574 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 41.4 mt -63.98 -39.19 93.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.91 0.386 . . . . 1.98 110.07 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -66.49 -43.34 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.665 . . . . 2.88 109.795 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 49.5 mm-40 -63.12 -36.36 83.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.54 111.61 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.0 ttpp -67.16 -38.5 85.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.245 -0.582 . . . . 0.8 109.977 176.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.71 -42.96 94.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 2.32 110.487 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.18 -42.25 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.951 -0.568 . . . . 0.6 110.729 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.49 -49.14 76.52 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.41 111.72 175.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 56.8 t30 -66.33 -33.26 75.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 1.27 110.753 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.75 -44.9 88.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.93 110.537 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.68 89.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.499 0.666 . . . . 0.58 109.763 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 83.9 t80 -55.78 -39.06 70.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.75 -1.113 . . . . 0.68 111.11 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mttt -72.63 -18.26 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.941 -0.572 . . . . 1.62 111.475 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -107.34 16.03 24.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.471 -0.331 . . . . 2.31 111.388 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 62.3 mttm 65.1 14.89 9.68 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.142 -0.481 . . . . 2.39 111.94 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 5.2 m-20 -86.36 63.53 8.05 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.327 -0.99 . . . . 1.62 108.327 170.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 82.6 m-85 -66.08 -37.12 85.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.71 112.189 -169.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 17.7 m-20 -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.455 -0.498 . . . . 1.93 109.762 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 45.5 m -66.11 -37.57 86.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.584 -0.735 . . . . 0.57 110.404 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -59.89 -56.56 20.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.39 110.423 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.746 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -60.76 -24.55 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.94 . . . . 0.81 110.353 -179.558 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -70.74 -48.08 56.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 1.41 110.873 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.68 -27.31 58.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.502 -0.479 . . . . 0.47 110.201 177.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 12.0 m-30 -64.58 -39.54 93.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.435 -0.58 . . . . 0.48 109.435 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.481 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 37.6 t70 -64.38 -44.61 90.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.316 -0.856 . . . . 1.51 109.795 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.1 tptm -59.56 -47.63 84.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.825 . . . . 1.25 110.319 177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.93 75.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.436 -0.347 . . . . 0.26 110.569 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -74.3 -26.82 60.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 1.37 110.783 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 50.8 mm-40 -77.19 -35.79 55.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.955 0.407 . . . . 2.78 109.946 174.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.7 mp -70.77 -42.61 70.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.693 -0.685 . . . . 0.49 110.321 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 49.3 t0 -139.91 88.79 11.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.184 -0.462 . . . . 1.11 111.323 177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.93 -7.88 20.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.889 2.393 . . . . 0.64 112.417 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.1 p -101.77 9.06 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.023 0.44 . . . . 0.46 110.98 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.506 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 17.6 t-20 -103.85 105.85 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 2.13 109.547 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.4 ppp? -58.74 -33.57 70.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.35 -0.841 . . . . 1.05 110.977 -172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 m -63.11 -31.48 72.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.71 112.028 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.4 m-85 -72.9 -35.31 67.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.06 -0.656 . . . . 0.44 109.995 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.647 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.9 mt -72.68 -36.04 52.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.959 -1.018 . . . . 0.33 110.436 -177.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 74' ' ' ALA . 44.1 p -72.75 -32.96 66.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.28 110.536 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.44 -40.18 96.45 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.781 -0.451 . . . . 1.59 109.781 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 18.8 mt-30 -55.82 -53.03 61.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.441 0.639 . . . . 1.34 110.427 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.39 -41.08 72.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.572 -1.195 . . . . 0.3 111.284 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.08 69.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.769 -0.651 . . . . 0.3 111.374 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG11 ' HB2' ' A' ' 34' ' ' LEU . 47.6 t -69.16 -46.59 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 C-N-CA 120.778 -0.369 . . . . 0.33 110.522 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 72.5 m-85 -56.7 -37.39 70.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.816 0.341 . . . . 0.38 110.333 177.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.3 -46.78 82.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.56 109.921 175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.21 -28.24 63.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 1.42 110.902 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 43.5 mtmt -74.66 -22.71 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.176 -0.92 . . . . 1.1 111.059 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.37 40.55 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.36 112.028 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.36 79.49 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.647 -0.501 . . . . 1.26 109.647 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -71.04 -23.88 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.542 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 16.3 m120 -65.6 -47.05 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 2.18 110.284 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.546 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 53.0 tptt -68.27 -33.88 75.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.308 -0.405 . . . . 0.68 111.114 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -62.42 -46.73 87.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.5 -0.318 . . . . 1.29 110.654 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HB2' HG23 ' A' ' 95' ' ' ILE . 2.7 ppt_? -71.52 -25.2 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.39 110.147 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 11.0 tp10 -62.88 -58.06 8.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.605 -0.725 . . . . 2.08 110.595 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 88.2 mt -70.43 -38.57 74.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.366 -0.834 . . . . 0.24 112.265 -174.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' ILE . 92.4 m -60.43 -45.85 92.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.728 -0.389 . . . . 1.1 111.586 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HG2' HD13 ' A' ' 95' ' ' ILE . 1.8 mm-40 -61.86 -36.49 81.4 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 2.09 110.6 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 10.3 tppt? -66.9 -50.57 62.01 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.008 -0.367 . . . . 1.23 110.008 175.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -55.99 -43.63 77.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.817 0.341 . . . . 0.19 110.129 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 71' ' ' CYS . 35.2 mt -61.41 -41.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.23 110.582 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.93 -47.74 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.702 -0.481 . . . . 2.35 109.702 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 42.5 t -61.55 -46.34 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.093 -0.958 . . . . 0.25 111.348 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.71 -38.83 60.92 Favored Glycine 0 C--O 1.217 -0.94 0 C-N-CA 120.975 -0.631 . . . . 0.27 112.388 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -72.78 -19.86 61.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.653 0.74 . . . . 2.63 109.273 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.8 tt0 -72.86 -53.1 12.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.755 -1.112 . . . . 1.96 110.758 173.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.87 5.99 50.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.038 -0.983 . . . . 1.35 111.532 -173.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 63.71 52.74 2.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.151 -0.932 . . . . 4.67 111.638 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.527 ' OE2' ' HG3' ' A' ' 48' ' ' MET . 30.5 tt0 -87.64 168.25 13.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.492 -0.776 . . . . 1.6 109.481 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.555 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 17.5 t70 -47.36 113.44 0.69 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.939 0.496 . . . . 0.82 112.174 -176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.2 p90 -74.49 -22.62 58.99 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.032 0.444 . . . . 0.44 110.85 -178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.4 mtm180 -64.56 -38.68 91.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.901 -0.777 . . . . 3.04 108.901 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -66.62 -39.17 88.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.206 -1.361 . . . . 1.46 110.15 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.504 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.0 mt -59.5 -40.4 81.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.25 111.188 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.694 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.485 -0.325 . . . . 0.24 110.549 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.64 -30.98 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.576 -0.527 . . . . 1.26 109.576 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -67.98 -44.77 75.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.23 110.164 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.7 m-85 -58.26 -40.85 82.92 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.24 110.699 175.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.62 -38.39 90.82 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.571 -0.741 . . . . 0.26 110.69 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 94' ' ' ARG . 52.6 mtt180 -67.81 -41.14 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.043 -0.263 . . . . 1.5 110.518 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 91' ' ' ALA . 81.2 mt -56.85 -56.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.89 -0.411 . . . . 0.28 109.89 175.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.22 -34.5 89.34 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.461 -0.791 . . . . 0.23 112.198 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 48.2 t30 -71.68 -31.14 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.714 0.292 . . . . 1.64 110.733 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -64.56 -47.71 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.557 -0.534 . . . . 0.94 109.557 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.8 m-85 -62.66 -37.48 86.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.43 110.288 175.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -57.98 -38.53 76.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.451 -0.795 . . . . 0.43 110.586 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.0 mmmt -77.07 -29.51 55.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.74 111.129 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -94.59 4.12 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.57 111.373 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 75.36 14.55 2.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.578 0.751 . . . . 1.47 112.423 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.3 mttm -89.38 59.53 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.609 -0.515 . . . . 1.89 109.609 172.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 69.3 m-85 -63.0 -25.8 68.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.46 111.696 -174.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.154 0.502 . . . . 1.57 109.751 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -77.33 -32.17 55.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.67 110.303 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -55.42 -60.57 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.22 110.264 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.557 HG23 ' SG ' ' A' ' 128' ' ' CYS . 12.2 mt -59.14 -34.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 0.51 111.238 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -55.05 -61.24 2.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.44 110.238 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.554 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 93.2 m-85 -75.7 -20.62 58.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.026 -0.534 . . . . 0.32 111.163 -176.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.488 ' CD1' HG13 ' A' ' 124' ' ' VAL . 5.1 m-85 -60.64 -54.77 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.313 -0.625 . . . . 0.32 109.313 169.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.437 ' HA ' HD23 ' A' ' 116' ' ' LEU . 20.5 t-20 -58.36 -29.95 66.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 1.77 110.58 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.554 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 44.6 mmtt -66.67 -34.24 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.714 175.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.604 ' HB3' HG11 ' A' ' 124' ' ' VAL . 48.0 t -69.97 -42.18 73.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 175.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.3 mm? -59.18 -29.53 67.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.314 0.578 . . . . 0.38 109.592 172.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -69.68 -35.81 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.203 -0.908 . . . . 0.41 111.628 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -96.19 -50.03 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.351 . . . . 0.53 111.747 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.694 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.4 t-160 -146.62 98.16 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.313 0.578 . . . . 0.5 110.174 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -61.19 108.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.805 -1.088 . . . . 2.87 111.385 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 19.1 p -126.01 137.16 29.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.7 0.762 . . . . 0.62 111.166 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_endo -49.19 -38.43 41.12 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 125.003 3.802 . . . . 0.76 113.778 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 25.4 t70 -64.27 -51.65 62.54 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 123.151 0.282 . . . . 2.2 111.344 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 115' ' ' SER . 21.6 t -68.57 -31.09 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 0.35 110.311 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.25 -49.89 72.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.651 -0.87 . . . . 0.61 108.651 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 32.0 tttp -51.45 -46.75 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.627 -1.169 . . . . 2.04 111.004 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 13.4 mmmm -75.7 -35.52 60.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.838 -1.073 . . . . 1.48 112.009 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.557 ' SG ' HG23 ' A' ' 109' ' ' ILE . 50.3 t -67.27 -44.58 78.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.226 -0.443 . . . . 0.91 110.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.38 110.168 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 49.7 tt0 -66.13 -53.37 38.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.756 -0.656 . . . . 1.72 110.674 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.19 71.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.762 0.315 . . . . 0.29 111.199 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.42 -42.41 75.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 2.04 110.506 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.5 ptmt -75.57 -33.56 60.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 1.9 110.237 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.643 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 60.9 mt -62.18 -51.61 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.48 110.107 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 105' ' ' TYR . 35.9 tp -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 1.37 110.5 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.27 -29.56 69.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.629 . . . . 3.36 110.468 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -90.41 -25.62 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.053 -0.521 . . . . 2.28 110.832 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 83.6 mm-40 -71.66 -31.51 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 1.75 111.4 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.456 -0.783 . . . . 2.99 110.68 178.546 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.3 tp10 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.315 0.579 . . . . 3.26 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 13' ' ' GLN . 25.1 p30 -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 114.797 -1.092 . . . . 1.94 112.713 -173.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.1 mttt -62.06 -47.35 85.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.955 0.407 . . . . 2.19 110.648 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.12 -37.13 66.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.83 110.233 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 1.1 mp0 -64.1 -35.15 79.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.695 -0.684 . . . . 2.26 110.713 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.37 -34.78 75.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.81 -0.632 . . . . 0.46 110.58 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 tm? -63.21 -42.64 99.33 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.094 -0.706 . . . . 1.98 109.094 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG2' HD23 ' A' ' 20' ' ' LEU . 65.1 tttp -68.1 -39.76 82.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 2.88 110.709 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 50.5 mm-40 -61.85 -34.38 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.598 0.237 . . . . 0.54 110.669 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -64.83 -39.1 93.03 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.641 -0.503 . . . . 0.8 109.641 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.4 mt-10 -68.17 -42.39 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 2.32 110.903 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 3.2 mm? -62.93 -43.41 98.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.6 110.755 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.83 -50.08 60.16 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.146 -0.782 . . . . 0.41 111.146 175.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.603 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 26.5 t-20 -57.86 -34.88 70.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.509 . . . . 1.27 111.441 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.07 -51.56 60.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.827 -0.624 . . . . 0.93 110.901 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.39 72.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.58 110.241 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.587 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.1 t80 -56.45 -41.89 77.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.988 -1.006 . . . . 0.68 110.712 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 2.2 mptp? -68.09 -31.03 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 1.62 111.271 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.65 17.58 10.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.916 -0.583 . . . . 2.31 111.795 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 48.5 mtmt 57.06 19.08 4.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.179 0.514 . . . . 2.39 111.862 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 42.3 m-20 -90.86 58.68 3.9 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.418 -0.956 . . . . 1.62 108.418 174.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.5 m-85 -62.19 -34.09 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.71 112.362 -169.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 4.0 p30 -64.65 -41.01 96.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.234 0.54 . . . . 1.93 109.929 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 41.3 m -74.53 -36.37 63.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.561 -0.745 . . . . 0.57 109.977 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.78 -58.66 7.39 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.331 -0.849 . . . . 0.39 109.961 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB2' HG11 ' A' ' 57' ' ' VAL . 1.4 tm? -58.78 -33.02 69.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.782 -1.099 . . . . 0.81 110.265 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.83 -48.81 77.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 1.41 111.247 -177.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.473 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -74.36 -32.59 62.82 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.606 -0.438 . . . . 0.47 110.287 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.57 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 7.5 m-85 -59.85 -42.35 93.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 0.48 109.687 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.01 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.885 -1.052 . . . . 1.51 109.878 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.6 tptm -60.84 -45.11 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.298 -0.865 . . . . 1.25 109.814 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.49 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.04 -0.527 . . . . 0.26 110.735 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HD2' HG12 ' A' ' 51' ' ' ILE . 56.2 tttm -79.3 -30.46 42.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.065 0.459 . . . . 1.37 110.665 176.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.37 -35.22 73.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.015 -0.735 . . . . 2.78 109.015 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 39' ' ' LYS . 10.2 mp -74.79 -52.6 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.052 -0.977 . . . . 0.49 110.34 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 32.6 t0 -132.9 94.95 19.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.048 0.451 . . . . 1.11 111.293 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 -15.54 20.33 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.962 2.441 . . . . 0.64 113.064 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.5 p -87.8 -17.61 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.46 110.769 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.497 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 19.2 t-20 -82.18 92.84 6.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.393 -0.595 . . . . 2.13 109.393 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.721 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.0 ptm -56.88 -25.76 57.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.975 -1.011 . . . . 1.05 112.596 -173.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -59.53 -31.26 69.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 0.71 111.375 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.1 m-85 -70.99 -32.25 69.02 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.44 109.718 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.4 mt -78.81 -40.27 23.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.016 -0.993 . . . . 0.33 110.92 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -68.3 -33.22 73.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.28 110.618 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.5 m-20 -72.39 -32.28 66.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.126 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 27.1 mt-30 -61.1 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.409 0.623 . . . . 1.34 110.031 171.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.64 -36.64 64.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.705 -1.134 . . . . 0.3 110.941 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.551 -0.75 . . . . 0.3 111.456 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 34' ' ' LEU . 31.6 t -63.53 -46.35 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 110.08 -0.341 . . . . 0.33 110.08 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 69.6 m-85 -58.08 -35.39 71.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.38 110.66 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 2.7 t80 -60.2 -45.29 93.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.377 -0.601 . . . . 0.56 109.377 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.46 -28.86 68.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 1.42 110.599 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 40.4 mtmt -78.58 -21.18 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.268 -0.878 . . . . 1.1 111.519 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.51 4.65 55.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.889 -0.672 . . . . 0.36 111.706 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -96.82 72.3 2.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 1.26 110.411 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -69.37 -26.27 64.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.43 110.943 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.38 -43.43 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 2.18 110.457 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.5 tptt -67.95 -32.65 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.68 110.609 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.64 -46.1 87.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.845 -0.798 . . . . 1.29 108.845 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -59.95 -40.17 88.09 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.582 -0.735 . . . . 3.39 110.315 176.106 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 26.9 mm-40 -55.35 -50.5 69.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.08 111.575 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 78.8 mt -83.32 -34.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.508 0.558 . . . . 0.24 112.508 -169.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 68' ' ' ARG . 4.6 p -60.08 -56.64 19.2 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.069 -0.253 . . . . 1.1 111.363 -178.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -26.61 66.35 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.714 -0.394 . . . . 2.09 110.967 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -62.47 -54.52 38.79 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 170.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.04 -46.28 78.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.503 -0.771 . . . . 0.19 110.663 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.721 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.2 mt -61.78 -42.06 93.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.23 110.969 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.36 -44.03 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.119 0.485 . . . . 2.35 109.881 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 40.0 t -62.8 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.161 -0.927 . . . . 0.25 111.805 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -73.78 -43.57 34.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.27 112.539 -177.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.96 -25.77 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 2.63 109.804 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.2 tp10 -65.98 -53.7 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.236 -0.893 . . . . 1.96 110.82 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -96.61 15.7 20.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.133 -0.939 . . . . 1.35 111.441 -167.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.0 42.37 7.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.776 -0.647 . . . . 4.67 111.432 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.2 tp10 -83.03 166.49 18.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.778 -0.646 . . . . 1.6 109.923 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' GLN . 37.1 t70 -50.34 107.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.713 0.633 . . . . 0.82 111.789 -178.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.9 p90 -70.77 -21.82 62.46 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.31 0.576 . . . . 0.44 110.226 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 83.2 mtm180 -63.51 -40.76 97.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.581 -0.736 . . . . 3.04 109.169 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 56.3 tp60 -65.28 -39.63 92.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.651 -1.159 . . . . 1.46 110.204 172.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 12.4 mt -58.49 -41.61 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.897 -0.592 . . . . 0.25 111.32 175.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.7 -37.43 86.46 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.973 0.416 . . . . 0.24 110.518 177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 1.5 mmmp? -69.61 -30.01 67.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.615 -0.513 . . . . 1.26 109.615 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.64 -48.84 73.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.828 -0.623 . . . . 0.23 109.601 172.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.759 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 18.8 m-85 -53.74 -43.58 69.21 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.835 -0.62 . . . . 0.24 111.449 176.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.06 72.12 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.006 -0.543 . . . . 0.26 110.917 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtt-85 -68.72 -42.45 77.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.967 -0.383 . . . . 1.5 109.967 174.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.568 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.4 mt -61.27 -52.42 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.266 0.555 . . . . 0.28 109.529 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.68 -36.85 92.49 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.082 -0.963 . . . . 0.23 111.786 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 100' ' ' PHE . 12.2 t30 -75.13 -26.29 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.785 -0.244 . . . . 1.64 110.979 -179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -64.72 -47.28 78.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.94 109.18 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.1 m-85 -65.28 -43.43 91.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.298 -0.864 . . . . 0.43 110.528 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 97' ' ' ASN . 66.7 t80 -55.55 -44.46 76.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.57 -0.741 . . . . 0.43 110.417 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 18.0 tppt? -74.28 -22.45 59.29 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.3 -0.864 . . . . 0.74 111.741 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -103.52 1.64 32.55 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.643 0.258 . . . . 0.57 111.663 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 74.22 33.07 0.94 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.453 0.701 . . . . 1.47 111.418 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 76.6 mttt -110.68 58.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.489 0.662 . . . . 1.89 109.218 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.539 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 71.7 m-85 -59.94 -29.42 68.39 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.212 -0.904 . . . . 0.46 113.288 -172.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.68 -45.84 92.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.349 0.595 . . . . 1.57 109.988 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -76.62 -26.83 55.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.545 -0.752 . . . . 0.67 110.293 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.88 -56.28 24.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.22 109.864 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.551 HG23 ' SG ' ' A' ' 128' ' ' CYS . 18.7 mt -62.46 -30.42 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.51 111.477 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.667 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 85.1 t60 -57.39 -62.84 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.429 . . . . 0.44 110.438 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.567 ' HA ' ' CB ' ' A' ' 114' ' ' LYS . 87.8 m-85 -70.98 -19.18 62.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.427 -0.806 . . . . 0.32 111.603 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 4.3 m-30 -66.4 -61.43 2.01 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.774 -0.37 . . . . 0.32 110.928 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' HA ' HD23 ' A' ' 116' ' ' LEU . 64.3 t30 -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.945 0.879 . . . . 1.77 109.23 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.759 ' HG2' ' CE1' ' A' ' 92' ' ' TYR . 7.8 tptp -63.87 -38.75 92.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.836 -1.529 . . . . 1.25 110.695 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.623 ' HB3' HG11 ' A' ' 124' ' ' VAL . 41.8 t -69.02 -43.76 74.11 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.256 -0.646 . . . . 1.04 109.256 175.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.483 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -57.56 -27.76 62.96 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.265 0.555 . . . . 0.38 109.642 173.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -72.69 -34.01 66.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.216 -0.902 . . . . 0.41 111.469 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -93.03 -50.42 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.53 111.176 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.662 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.9 t-160 -145.61 98.65 3.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.318 0.58 . . . . 0.5 109.7 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HG3' HD12 ' A' ' 116' ' ' LEU . 38.2 ttm180 -56.99 109.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.8 -1.091 . . . . 2.87 111.092 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 3.2 p -130.13 133.3 24.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 121.823 0.82 . . . . 0.62 111.487 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.12 -41.73 40.51 Favored 'Trans proline' 0 C--N 1.343 0.268 1 C-N-CA 125.391 4.06 . . . . 0.76 114.631 -177.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.65 -42.17 82.64 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.483 0.179 . . . . 2.2 111.483 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 115' ' ' SER . 4.8 t -71.54 -35.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.215 -0.594 . . . . 0.35 109.58 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.35 -46.88 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.199 -0.667 . . . . 0.61 109.199 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.12 -50.27 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.02 -0.991 . . . . 2.04 110.609 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 11.1 mptt -61.66 -39.63 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 1.48 111.968 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.7 t -65.46 -44.51 87.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.991 -0.549 . . . . 0.91 110.137 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.3 -36.2 83.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.273 0.559 . . . . 1.38 109.801 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 134' ' ' ILE . 46.9 tp60 -63.76 -47.7 79.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.101 -0.954 . . . . 1.72 110.968 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.39 96.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.277 0.473 . . . . 0.29 112.277 -174.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.7 pt-20 -71.0 -35.57 72.12 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.57 -0.452 . . . . 2.04 111.33 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 22.0 ptmt -73.28 -34.9 66.04 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.555 -0.458 . . . . 1.9 109.822 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 130' ' ' GLN . 23.0 mt -61.51 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.48 110.504 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.1 mt -57.89 -34.59 69.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.04 -0.527 . . . . 1.37 111.141 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 21.4 tptp -72.34 -28.73 63.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.946 0.403 . . . . 3.36 110.616 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.31 -22.7 60.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.239 0.543 . . . . 2.28 110.135 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.83 -24.15 48.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.4 -0.818 . . . . 1.75 110.421 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 8.0 pt-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.872 -0.604 . . . . 2.99 110.389 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.669 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.401 -0.592 . . . . 3.26 109.401 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 85.9 m-20 -65.41 -30.02 70.78 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.622 -0.431 . . . . 1.94 111.14 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 37.6 mtpt -58.8 -54.3 48.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.649 0.262 . . . . 2.19 111.348 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.507 ' HG2' ' OE1' ' A' ' 9' ' ' GLU . 34.7 mmtp -63.77 -40.81 97.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 2.83 110.584 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.704 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.1 tt0 -63.07 -30.86 71.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.956 -0.565 . . . . 2.26 110.643 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.42 -36.89 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.46 110.526 178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.1 tm? -65.67 -40.37 92.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.495 -0.928 . . . . 1.98 108.495 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' HD23 ' A' ' 20' ' ' LEU . 78.2 tttt -60.15 -49.89 75.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 2.88 110.588 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.56 -32.73 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.54 111.585 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.18 -43.05 88.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.928 -0.397 . . . . 0.8 109.928 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 59.5 mt-10 -65.73 -45.8 81.29 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.32 110.791 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.6 mm? -57.34 -40.94 79.05 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.6 110.426 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.93 -53.85 20.95 Favored Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 119.994 -1.098 . . . . 0.41 111.508 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -55.69 -31.21 62.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 1.27 111.592 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.02 -50.42 55.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.93 110.215 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.03 79.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.967 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 67.7 t80 -56.57 -42.9 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.967 -1.015 . . . . 0.68 110.357 177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 85.2 mttt -69.84 -28.53 65.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.832 . . . . 1.62 111.287 179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.86 14.85 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 2.31 111.437 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 59.31 19.47 7.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.13 -0.486 . . . . 2.39 111.978 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 21.9 m-20 -87.59 59.35 5.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.213 -1.032 . . . . 1.62 108.213 172.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' O ' HG11 ' A' ' 57' ' ' VAL . 81.2 m-85 -61.3 -39.73 91.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.225 -0.898 . . . . 0.71 112.573 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 2.0 p-10 -65.65 -42.01 91.92 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.582 -0.847 . . . . 1.93 109.835 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.6 m -64.33 -38.25 90.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.426 0.631 . . . . 0.57 110.129 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.599 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.49 -49.49 71.13 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 115.316 -0.857 . . . . 0.39 110.578 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -62.72 -36.19 82.19 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.921 -0.581 . . . . 0.81 109.512 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -56.95 -50.58 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.426 -0.806 . . . . 1.41 109.946 174.659 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 36.8 m-70 -67.14 -42.87 83.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.47 111.506 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 5.4 m-85 -63.38 -46.7 85.26 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.512 -0.767 . . . . 0.48 111.108 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.641 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.5 OUTLIER -60.64 -33.67 73.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.14 0.495 . . . . 1.51 110.401 175.099 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 43' ' ' LEU . 50.0 tptt -64.67 -43.52 93.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.465 -0.788 . . . . 1.25 110.217 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.03 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.392 . . . . 0.26 110.8 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 45' ' ' PRO . 27.2 tptp -67.37 -35.94 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.095 0.474 . . . . 1.37 110.684 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.58 -23.71 61.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 2.78 110.514 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.1 mp -84.13 -39.99 18.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.766 -0.652 . . . . 0.49 110.279 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -136.02 106.56 9.61 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-O 121.19 0.519 . . . . 1.11 111.223 173.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HA ' ' HD2' ' A' ' 41' ' ' LYS . 76.8 Cg_endo -75.46 -13.18 20.56 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.271 2.647 . . . . 0.64 113.722 -177.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.9 p -103.81 -14.85 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.327 0.492 . . . . 0.46 112.327 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.481 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 13.4 t-20 -79.17 91.27 4.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.137 0.494 . . . . 2.13 109.802 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.3 ppp? -52.01 -30.91 27.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.987 -1.006 . . . . 1.05 111.335 -177.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.0 m -62.8 -27.57 69.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.209 -0.905 . . . . 0.71 111.988 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.2 m-85 -71.54 -41.83 68.66 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.265 -0.642 . . . . 0.44 109.265 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.725 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.1 mt -65.67 -42.52 92.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.886 -1.052 . . . . 0.33 111.627 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' CB ' ' A' ' 74' ' ' ALA . 59.3 p -65.93 -29.95 70.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 0.28 110.818 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.699 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 18.1 m-80 -79.84 -31.12 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.841 -0.618 . . . . 1.59 111.121 177.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.681 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 15.0 mt-30 -58.74 -48.39 81.36 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.174 -1.047 . . . . 1.34 108.174 170.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.94 -38.64 76.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.959 -1.473 . . . . 0.3 111.094 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.12 69.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.3 111.321 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 34' ' ' LEU . 30.7 t -68.1 -46.93 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 120.568 -0.453 . . . . 0.33 110.219 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.599 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 57.3 m-85 -55.36 -38.38 68.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.472 -0.331 . . . . 0.38 110.624 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.67 -46.68 70.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.654 -0.703 . . . . 0.56 110.103 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.29 -27.46 59.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 1.42 111.193 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.2 mtmt -72.54 -15.45 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 1.1 111.327 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.71 5.06 56.82 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.549 -0.62 . . . . 0.36 111.549 -177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.65 75.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.139 0.495 . . . . 1.26 110.666 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -71.98 -25.39 61.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.43 110.383 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.84 -46.94 67.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.18 110.623 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.4 tptt -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.68 110.671 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 42.3 t -58.51 -45.66 88.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.579 . . . . 1.29 109.471 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.528 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.194 -0.912 . . . . 3.39 110.231 174.525 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.0 -56.43 22.15 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.5 -0.773 . . . . 2.08 111.366 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 70.0 mt -70.14 -38.38 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.24 112.344 -173.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.489 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.0 m -61.76 -46.39 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.522 -0.471 . . . . 1.1 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.9 -38.17 81.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 2.09 110.699 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -64.69 -47.73 77.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.272 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.725 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.19 -41.51 88.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.19 110.324 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 71' ' ' CYS . 26.2 mt -63.45 -41.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.092 -0.504 . . . . 0.23 110.579 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.94 -48.96 79.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.388 -0.597 . . . . 2.35 109.388 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -46.11 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.215 -0.902 . . . . 0.25 111.21 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.22 61.6 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.175 -0.536 . . . . 0.27 112.55 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -66.67 -25.81 66.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.617 0.722 . . . . 2.63 109.491 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -71.87 -53.23 13.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.052 -0.977 . . . . 1.96 110.816 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.39 9.48 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.791 -0.641 . . . . 1.35 111.844 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 60.37 40.53 17.36 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.417 0.627 . . . . 4.67 110.722 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.45 168.01 18.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.061 -0.972 . . . . 1.6 110.343 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.65 112.85 0.55 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.447 0.467 . . . . 0.82 112.187 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 28.9 p90 -71.91 -22.92 61.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.158 0.504 . . . . 0.44 109.799 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 77.3 mtt180 -65.99 -35.12 79.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.856 -0.611 . . . . 3.04 109.568 176.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.41 -42.81 87.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.504 -0.771 . . . . 1.46 109.643 171.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 mt -57.85 -41.04 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.25 111.62 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.694 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.701 0.286 . . . . 0.24 110.736 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -70.79 -34.75 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.537 -0.542 . . . . 1.26 109.537 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.85 -43.78 91.89 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.575 -0.739 . . . . 0.23 109.995 174.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.25 -45.63 92.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.175 -0.466 . . . . 0.24 110.709 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.84 -35.28 77.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.775 -0.648 . . . . 0.26 110.617 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 32.6 ttm180 -75.9 -36.41 59.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.486 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 91' ' ' ALA . 78.9 mt -59.96 -51.28 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.462 -0.57 . . . . 0.28 109.462 172.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.54 -34.88 91.08 Favored Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 115.402 -0.817 . . . . 0.23 111.907 177.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.593 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.0 t30 -66.29 -35.0 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 1.64 110.303 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 m -62.14 -48.6 79.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.94 109.811 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 50.8 m-85 -61.74 -40.21 94.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.446 -0.797 . . . . 0.43 110.473 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.69 -38.93 76.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.43 110.656 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 2.4 mmmp? -75.76 -31.79 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.74 110.897 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -92.16 1.6 57.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.57 111.521 -172.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 21.5 tt0 79.81 13.86 0.98 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.718 0.807 . . . . 1.47 111.815 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.6 mttm -92.92 59.68 3.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.566 0.698 . . . . 1.89 109.956 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 66.4 m-85 -61.63 -28.91 69.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.185 -0.916 . . . . 0.46 111.845 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.56 -43.67 93.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.168 0.509 . . . . 1.57 110.14 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.91 -30.38 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.78 -0.645 . . . . 0.67 110.165 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.23 -61.11 2.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.546 . . . . 0.22 110.06 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.577 HG23 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -59.95 -35.87 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.51 111.116 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -54.49 -57.16 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.44 110.468 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.541 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 82.2 m-85 -74.8 -24.62 58.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.141 -0.482 . . . . 0.32 111.246 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 11.3 m-30 -62.09 -49.72 74.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 110.02 -0.363 . . . . 0.32 110.02 172.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -61.36 -28.17 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 1.77 109.845 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 15.5 mmtt -71.72 -30.07 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.667 -0.697 . . . . 1.25 110.346 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.669 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -69.75 -47.2 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.302 -0.999 . . . . 1.04 108.302 175.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.466 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -57.25 -34.38 68.55 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.257 -0.883 . . . . 0.38 109.904 173.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -60.74 -36.99 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.968 -1.015 . . . . 0.41 111.362 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -97.65 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.815 0.302 . . . . 0.53 111.815 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.694 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.7 t-160 -145.75 98.12 3.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.441 0.638 . . . . 0.5 109.837 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.466 ' HG3' HD12 ' A' ' 116' ' ' LEU . 33.7 ttp180 -71.27 116.01 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.12 -0.945 . . . . 2.87 111.052 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 4.4 p -141.53 139.42 18.7 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.384 -0.826 . . . . 0.62 110.689 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 4.9 Cg_endo -44.53 -34.14 7.43 Favored 'Trans proline' 0 C--O 1.223 -0.228 1 C-N-CA 125.497 4.132 . . . . 0.76 114.301 -177.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.28 -48.76 72.08 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.723 0.268 . . . . 2.2 111.723 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.7 t -74.83 -32.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.186 -0.605 . . . . 0.35 109.957 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.37 -44.5 96.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.762 -0.829 . . . . 0.61 108.762 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -58.16 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.642 -1.163 . . . . 2.04 110.655 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.3 mptt -60.4 -41.55 94.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.543 -0.753 . . . . 1.48 111.725 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.577 ' SG ' HG23 ' A' ' 109' ' ' ILE . 49.9 t -62.89 -44.4 96.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.826 -0.625 . . . . 0.91 110.3 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.56 -36.09 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.158 -0.473 . . . . 1.38 110.455 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 6.4 tp-100 -59.37 -54.34 47.88 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.095 -0.502 . . . . 1.72 110.373 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.36 79.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.29 111.362 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -66.83 -47.23 72.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 2.04 110.143 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 15.4 ptmt -71.67 -32.29 67.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 1.9 110.472 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 130' ' ' GLN . 45.0 mt -60.59 -52.85 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.48 109.971 173.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.561 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -58.08 -36.77 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.754 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -64.18 -28.99 70.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.543 -0.753 . . . . 3.36 111.098 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.22 -21.07 24.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 2.28 110.835 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 21.2 mm-40 -81.13 -37.68 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.564 . . . . 1.75 111.408 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.0 pt-20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 119.051 -0.5 . . . . 2.99 111.207 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.559 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 15.1 tt0 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.834 -0.432 . . . . 3.26 109.834 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 2.7 m-20 -64.85 -35.07 79.95 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 122.189 0.196 . . . . 1.94 111.418 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.65 -40.91 98.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.29 0.567 . . . . 2.19 110.735 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -68.12 -43.42 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 2.83 109.979 175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.638 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.4 tt0 -63.31 -27.73 69.53 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.841 -0.618 . . . . 2.26 110.8 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.66 -37.3 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.396 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 12.1 mt -62.4 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 1.98 110.209 173.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.96 -43.36 96.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 2.88 110.026 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 47.3 mm-40 -63.66 -38.87 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.54 111.325 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 28.0 ttpt -63.22 -41.45 99.13 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.949 -0.389 . . . . 0.8 109.949 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.5 mm-40 -67.72 -41.79 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 2.32 111.183 178.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 2.2 mm? -63.41 -39.54 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 0.6 110.713 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.84 -53.69 29.4 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.587 -0.816 . . . . 0.41 111.297 174.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -56.07 -36.03 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.24 0.543 . . . . 1.27 111.059 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -52.81 63.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.976 -0.556 . . . . 0.93 110.522 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.42 75.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.58 110.238 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 31.8 t80 -54.81 -40.24 69.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.12 -0.946 . . . . 0.68 110.632 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 6.0 mptp? -67.21 -27.14 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.773 -0.649 . . . . 1.62 111.798 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -98.83 18.25 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.173 -0.211 . . . . 2.31 111.106 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttp 61.33 17.02 7.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.197 0.522 . . . . 2.39 111.676 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 3.5 m-20 -85.07 57.62 4.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.909 -0.774 . . . . 1.62 108.909 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 73.0 m-85 -61.32 -34.53 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.403 -0.817 . . . . 0.71 112.56 -170.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.502 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 6.3 p-10 -63.14 -47.24 83.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 1.93 110.222 175.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 32.7 m -67.6 -36.44 80.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.588 -0.733 . . . . 0.57 109.969 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.53 -56.59 20.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.336 -0.847 . . . . 0.39 110.27 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -62.51 -29.8 70.82 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.94 -1.027 . . . . 0.81 110.431 -178.331 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -60.65 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 1.41 110.788 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -76.61 -34.54 58.37 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.534 -0.303 . . . . 0.47 110.609 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 10.7 m-85 -58.78 -44.18 90.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.253 0.549 . . . . 0.48 109.925 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -63.63 -41.17 98.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 1.51 109.851 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.0 tptm -61.02 -42.69 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.203 -0.908 . . . . 1.25 110.195 176.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -28.32 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.395 . . . . 0.26 111.039 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -78.3 -29.51 47.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.418 0.628 . . . . 1.37 110.219 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.35 -32.41 68.5 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.738 -0.838 . . . . 2.78 108.738 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.6 mp -80.79 -46.23 15.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.02 -0.991 . . . . 0.49 111.125 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 8.1 t0 -138.15 94.04 11.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 1.11 110.729 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.39 -13.44 20.62 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.976 2.451 . . . . 0.64 113.129 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.3 p -89.37 -18.12 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.46 111.052 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 13.1 t-20 -78.74 92.14 4.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.352 -0.611 . . . . 2.13 109.352 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.787 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 18.6 ptm -53.23 -28.6 28.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.1 -0.954 . . . . 1.05 111.708 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.415 ' HB ' ' OD1' ' A' ' 47' ' ' ASN . 8.9 m -56.16 -40.95 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.047 -0.524 . . . . 0.71 111.347 -177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.2 m-85 -63.91 -38.27 90.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.388 0.614 . . . . 0.44 110.149 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.613 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.7 mt -71.45 -41.71 73.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.907 -1.042 . . . . 0.33 110.747 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -69.0 -33.96 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.28 111.245 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.684 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 10.2 m-80 -72.7 -33.11 66.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.472 . . . . 1.59 110.244 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 25.4 mt-30 -57.34 -50.16 73.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.815 0.817 . . . . 1.34 109.727 170.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.23 -29.04 65.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.287 -1.324 . . . . 0.3 111.474 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . . . -67.74 -32.82 73.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.3 111.065 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.693 HG11 ' HB2' ' A' ' 34' ' ' LEU . 38.0 t -68.71 -45.67 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 C-N-CA 120.65 -0.42 . . . . 0.33 110.546 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.8 m-85 -57.67 -30.39 65.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.964 0.411 . . . . 0.38 110.232 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.63 -32.71 74.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.793 -0.64 . . . . 0.56 110.141 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 44.6 mm-40 -81.19 -34.71 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.725 . . . . 1.42 109.952 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 35.5 mtmt -65.91 -27.01 67.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.954 -1.021 . . . . 1.1 111.311 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.31 7.97 55.46 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.36 111.584 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.91 63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.547 -0.538 . . . . 1.26 109.547 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 75.9 m-85 -61.38 -25.92 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.43 111.5 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.98 -35.59 80.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.068 -0.515 . . . . 2.18 110.246 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.5 tptt -81.49 -33.25 32.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.265 -0.425 . . . . 0.68 111.25 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.6 m -61.81 -43.68 98.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.902 0.382 . . . . 1.29 110.314 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 95' ' ' ILE . 2.8 ppt_? -71.31 -28.01 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 3.39 109.969 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 12.0 tp10 -63.42 -57.67 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.498 -0.774 . . . . 2.08 110.658 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 73.9 mt -68.78 -42.68 77.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.75 -0.659 . . . . 0.24 112.437 -173.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.554 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.1 m -57.6 -47.73 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.898 -0.321 . . . . 1.1 111.328 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -40.91 89.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.934 0.397 . . . . 2.09 111.083 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -65.01 -47.91 75.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 1.23 109.707 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.88 -42.17 79.34 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.19 110.441 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.787 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 41.4 mt -63.06 -43.45 99.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.968 -0.56 . . . . 0.23 110.994 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.31 -42.12 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.18 0.514 . . . . 2.35 110.248 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 53.0 t -65.18 -48.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.183 -0.917 . . . . 0.25 111.462 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -69.46 -42.2 74.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.007 -0.616 . . . . 0.27 112.095 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -65.58 -26.35 67.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.324 0.583 . . . . 2.63 109.738 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 7.0 tt0 -69.53 -54.58 13.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.38 -0.827 . . . . 1.96 110.984 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -87.39 12.18 12.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.686 -1.143 . . . . 1.35 111.303 -170.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 61.8 42.32 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.427 -0.806 . . . . 4.67 110.544 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.3 tp10 -84.85 166.33 16.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.218 -0.901 . . . . 1.6 110.128 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 21.5 t70 -49.44 113.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.658 0.599 . . . . 0.82 111.942 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 10.6 p90 -76.36 -21.29 56.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.112 0.482 . . . . 0.44 110.625 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 60.2 mtt180 -65.75 -40.54 92.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.939 -0.763 . . . . 3.04 108.939 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -62.24 -37.97 87.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.692 -1.14 . . . . 1.46 110.243 171.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.9 mt -62.0 -42.12 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.67 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.687 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.66 -33.64 76.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.24 110.709 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.6 mmmt -72.88 -28.84 62.73 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -69.82 -45.38 68.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.451 -0.795 . . . . 0.23 109.925 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HB3' ' OG ' ' A' ' 115' ' ' SER . 21.0 m-85 -57.92 -46.39 85.06 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.122 -0.49 . . . . 0.24 110.605 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.86 85.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.528 -0.76 . . . . 0.26 110.551 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' ALA . 40.3 ttm-85 -68.86 -39.7 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.942 -0.392 . . . . 1.5 109.942 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' ALA . 93.1 mt -56.56 -53.25 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.235 0.54 . . . . 0.28 109.679 173.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.15 -38.87 96.86 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 115.127 -0.942 . . . . 0.23 112.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.63 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 10.6 m-80 -65.06 -34.39 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.851 0.326 . . . . 1.64 110.823 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 46.1 m -61.77 -49.2 77.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 0.94 109.921 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.1 m-85 -63.04 -37.93 89.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.43 110.635 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.06 -38.51 83.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.434 -0.803 . . . . 0.43 110.543 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -75.07 -28.21 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.38 . . . . 0.74 110.771 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.6 pt-20 -96.11 1.16 52.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 0.57 111.425 -174.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 73.28 27.24 1.96 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.666 -0.697 . . . . 1.47 111.413 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 34.7 mtpt -102.71 56.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.596 . . . . 1.89 109.399 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 73.4 m-85 -61.01 -27.41 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.825 . . . . 0.46 112.074 -173.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -59.26 -42.11 90.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.201 0.524 . . . . 1.57 109.727 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 -33.25 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.67 110.322 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.3 -58.19 7.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.431 . . . . 0.22 110.457 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.544 HG23 ' SG ' ' A' ' 128' ' ' CYS . 15.0 mt -62.03 -36.2 72.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 0.51 111.483 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -53.0 -56.81 13.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.014 0.435 . . . . 0.44 110.162 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 95.3 m-85 -74.76 -25.36 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.32 111.208 -176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 10.2 m-30 -62.03 -50.75 70.77 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 120.522 0.201 . . . . 0.32 110.495 173.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -60.62 -29.25 69.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.53 . . . . 1.77 109.725 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 9.3 mmtm -70.74 -30.78 67.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.587 -0.733 . . . . 1.25 110.535 172.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.654 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -68.06 -45.69 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.296 -1.001 . . . . 1.04 108.296 175.188 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.517 HD12 ' HG3' ' A' ' 120' ' ' ARG . 1.9 mm? -58.99 -36.24 74.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.267 -0.879 . . . . 0.38 110.065 173.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -57.5 -45.82 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.222 -0.899 . . . . 0.41 111.411 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -86.71 -49.62 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.806 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.687 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.8 t-160 -147.88 97.72 2.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.197 0.522 . . . . 0.5 110.274 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 116' ' ' LEU . 39.8 ttm180 -60.92 115.8 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.097 -0.956 . . . . 2.87 110.766 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.1 p -140.11 144.97 39.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.89 -0.596 . . . . 0.62 110.866 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 13.4 Cg_exo -65.48 -27.43 54.32 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.527 2.818 . . . . 0.76 113.208 -170.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.29 -44.88 86.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.576 -0.284 . . . . 2.2 110.75 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.4 t -78.83 -33.34 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 119.944 -0.703 . . . . 0.35 110.028 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.75 -44.2 97.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.755 -0.831 . . . . 0.61 108.755 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -56.56 -53.07 61.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.061 -0.972 . . . . 2.04 110.512 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -61.79 -40.29 94.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.202 -0.908 . . . . 1.48 111.987 -177.637 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.544 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.4 t -63.92 -50.46 68.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.91 110.313 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.96 -35.4 80.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 1.38 110.558 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 6.6 tp-100 -60.11 -55.97 27.39 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.201 -0.454 . . . . 1.72 110.19 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.28 76.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.965 0.412 . . . . 0.29 111.282 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.16 -43.72 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.873 -0.603 . . . . 2.04 110.62 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 21.0 ptmt -72.97 -32.52 65.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.397 -0.365 . . . . 1.9 110.298 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.576 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 43.5 mt -61.75 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.48 110.303 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.9 mt -60.79 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.41 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -71.0 -28.31 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 3.36 110.777 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 50.2 mt-10 -85.27 -16.64 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.41 . . . . 2.28 110.625 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 28.2 mt-30 -75.88 -34.05 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 1.75 110.673 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.263 -0.875 . . . . 2.99 110.514 177.921 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 13.6 tt0 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.309 -0.626 . . . . 3.26 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.609 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 28.7 p-10 -57.47 -40.27 78.16 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.463 0.542 . . . . 1.94 112.463 -172.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.45 -50.12 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.128 0.489 . . . . 2.19 111.174 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.41 -40.53 89.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 2.83 110.694 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 43' ' ' LEU . 41.2 tt0 -64.08 -28.81 70.04 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.504 -0.316 . . . . 2.26 110.651 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -60.88 -39.14 88.09 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.46 110.324 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.84 -40.65 89.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.292 -0.632 . . . . 1.98 109.292 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -67.43 -44.92 77.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.682 -0.69 . . . . 2.88 110.361 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.29 -34.66 74.07 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.451 -0.34 . . . . 0.54 111.229 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 26.8 ttpp -64.86 -41.22 95.85 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 120.654 0.264 . . . . 0.8 110.48 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.85 -35.83 75.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.439 -0.346 . . . . 2.32 110.806 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.75 -41.6 91.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.225 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.15 -51.56 55.89 Favored Glycine 0 C--O 1.222 -0.627 0 N-CA-C 111.151 -0.78 . . . . 0.41 111.151 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.611 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 28.8 t-20 -60.94 -35.19 76.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.077 0.465 . . . . 1.27 111.954 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -64.81 -49.16 71.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.111 -0.495 . . . . 0.93 110.447 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 29' ' ' ASP . . . -62.59 -39.49 93.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.431 -0.804 . . . . 0.58 109.727 175.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 88.1 t80 -53.53 -36.75 62.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.389 -1.278 . . . . 0.68 111.207 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 97.1 mttt -70.04 -36.33 74.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.756 . . . . 1.62 112.03 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -97.66 30.04 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.822 0.344 . . . . 2.31 111.193 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 57.81 20.26 6.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 2.39 112.241 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 42.2 m-20 -84.36 56.72 3.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.005 -1.109 . . . . 1.62 108.005 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG11 ' A' ' 57' ' ' VAL . 58.2 m-85 -62.3 -38.92 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 0.71 112.215 -169.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 8.4 m-20 -63.86 -45.18 90.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.356 -0.538 . . . . 1.93 109.818 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 27.5 m -63.15 -40.81 98.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.57 110.5 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.72 -58.84 6.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.509 -0.769 . . . . 0.39 110.562 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 58' ' ' TYR . 1.1 tt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.697 -1.138 . . . . 0.81 109.999 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.88 -48.13 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.394 -0.821 . . . . 1.41 110.765 -179.545 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.3 m-70 -74.63 -35.55 62.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.47 110.158 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.491 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 8.7 m-85 -58.97 -44.58 91.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.021 0.439 . . . . 0.48 110.264 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.687 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 28.4 t70 -64.6 -36.95 85.9 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.576 -0.738 . . . . 1.51 110.014 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 43' ' ' LEU . 58.1 tptt -60.15 -47.3 86.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.424 -0.807 . . . . 1.25 109.559 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.62 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.975 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.129 0.49 . . . . 1.37 110.873 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -77.01 -32.05 56.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.485 0.66 . . . . 2.78 109.398 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 13' ' ' GLN . 10.4 mp -79.56 -32.15 42.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.436 -0.802 . . . . 0.49 110.619 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 6.2 t70 -151.26 93.63 3.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 1.11 111.005 172.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.35 -18.27 23.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.864 2.376 . . . . 0.64 112.46 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 p -86.0 -11.49 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.46 111.074 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 16.3 t-20 -86.92 90.26 8.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.064 -0.717 . . . . 2.13 109.064 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.808 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.7 ptm -53.76 -28.3 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.153 -0.93 . . . . 1.05 112.051 -173.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.8 m -55.08 -42.83 73.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.222 -0.445 . . . . 0.71 111.433 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.4 m-85 -61.54 -42.85 99.44 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.579 0.704 . . . . 0.44 109.913 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 mt -66.7 -42.55 89.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.75 -1.114 . . . . 0.33 110.949 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -67.68 -25.29 65.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.903 0.382 . . . . 0.28 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 10.4 m120 -74.56 -38.66 62.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 1.59 110.283 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 12.9 mt-30 -59.75 -44.3 93.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.487 0.661 . . . . 1.34 109.446 173.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.57 -38.27 80.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.873 -1.058 . . . . 0.3 110.857 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.33 -29.82 70.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.861 -0.609 . . . . 0.3 110.665 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.694 HG12 ' HD3' ' A' ' 61' ' ' LYS . 45.0 t -72.05 -45.9 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.232 -0.44 . . . . 0.33 110.691 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.681 ' CE2' HD11 ' A' ' 34' ' ' LEU . 74.4 m-85 -57.16 -34.92 68.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.375 . . . . 0.38 110.354 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.03 -44.33 94.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.752 -0.658 . . . . 0.56 110.665 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.76 -37.42 65.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 1.42 110.554 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.3 mtpp -65.54 -26.84 68.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.649 -1.16 . . . . 1.1 111.75 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 -3.56 31.14 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.821 -0.705 . . . . 0.36 112.282 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 22.9 m-20 -90.89 75.65 6.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.016 0.436 . . . . 1.26 110.018 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.8 -36.41 80.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.428 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -64.97 -39.18 93.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.714 0.292 . . . . 2.18 110.858 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.612 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 56.1 tptt -67.18 -31.95 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.68 110.759 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.4 t -60.16 -44.4 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.717 -0.475 . . . . 1.29 109.717 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -45.43 90.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.309 -0.405 . . . . 3.39 109.944 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -50.27 -52.67 34.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.214 -0.903 . . . . 2.08 111.381 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 74.5 mt -76.95 -36.29 56.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.977 -0.556 . . . . 0.24 112.08 -175.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.526 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.9 m -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.518 -0.473 . . . . 1.1 111.014 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG3' HD13 ' A' ' 95' ' ' ILE . 2.3 mt-10 -65.98 -34.22 77.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.973 -0.291 . . . . 2.09 110.879 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.1 tpmt? -63.07 -50.05 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.887 -0.412 . . . . 1.23 109.887 174.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.34 -42.41 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.19 110.644 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.808 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 35.8 mt -62.57 -42.7 96.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.678 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -57.93 -45.42 86.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 2.35 109.606 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.77 -48.66 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.985 -1.007 . . . . 0.25 111.682 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.4 -46.31 64.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.249 -0.501 . . . . 0.27 112.39 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -60.77 -31.29 70.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.362 0.601 . . . . 2.63 109.557 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.38 -51.77 22.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.088 -0.96 . . . . 1.96 110.922 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -87.06 13.34 9.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.658 -0.701 . . . . 1.35 111.937 -171.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 60.86 47.48 7.7 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.981 -0.554 . . . . 4.67 110.626 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.7 tp10 -94.14 166.53 12.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.674 -0.694 . . . . 1.6 110.526 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 26.0 t70 -47.75 108.57 0.16 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.835 0.854 . . . . 0.82 111.884 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.1 p90 -69.45 -21.48 63.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.152 0.501 . . . . 0.44 110.806 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.563 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 71.0 mtm180 -65.18 -46.11 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.902 -0.777 . . . . 3.04 108.902 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -58.54 -39.6 80.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.33 -1.305 . . . . 1.46 110.1 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 12.6 mt -58.8 -44.23 89.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.699 -0.682 . . . . 0.25 111.267 174.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.676 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.3 -36.96 85.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.414 -0.357 . . . . 0.24 110.628 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.5 mmmt -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.375 -0.602 . . . . 1.26 109.375 176.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.76 -44.61 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 0.23 110.339 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -58.58 -40.24 82.59 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 120.944 0.402 . . . . 0.24 110.909 175.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.66 -35.9 82.13 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.839 -0.618 . . . . 0.26 110.881 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -70.62 -37.95 73.88 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.111 -0.236 . . . . 1.5 110.435 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 91' ' ' ALA . 76.2 mt -57.52 -56.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.28 109.534 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.2 -31.28 78.49 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.537 -0.839 . . . . 0.23 112.042 177.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 48.3 t30 -71.31 -36.71 71.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.499 0.19 . . . . 1.64 110.76 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -65.08 -43.51 91.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.795 -0.446 . . . . 0.94 109.795 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.4 m-85 -62.43 -41.64 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.789 -0.641 . . . . 0.43 110.001 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.07 -37.41 71.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.926 -1.034 . . . . 0.43 110.98 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -81.35 -24.62 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.512 -0.313 . . . . 0.74 111.017 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -96.59 4.25 52.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.57 111.232 -175.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 75.88 18.69 2.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.477 -0.783 . . . . 1.47 111.62 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 56.6 mttm -97.94 58.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.89 109.896 173.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.56 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 77.0 m-85 -61.85 -30.72 71.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.109 -0.951 . . . . 0.46 112.268 -174.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.39 -40.65 87.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 1.57 110.257 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.21 -29.59 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.705 -0.68 . . . . 0.67 109.922 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.513 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -58.83 -57.82 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.664 . . . . 0.22 110.218 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -59.96 -33.96 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.476 -0.784 . . . . 0.51 111.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.48 -58.53 7.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.342 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.8 m-85 -74.43 -20.54 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.86 -0.609 . . . . 0.32 111.108 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 9.2 m-30 -63.18 -52.75 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.499 -0.556 . . . . 0.32 109.499 170.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 116' ' ' LEU . 86.4 m-20 -58.42 -32.54 68.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.77 110.504 176.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.3 mmtt -65.87 -33.29 75.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.55 . . . . 1.25 110.735 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.694 ' HB3' HG11 ' A' ' 124' ' ' VAL . 48.2 t -71.76 -43.74 65.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 120' ' ' ARG . 1.5 mm? -57.61 -34.48 69.32 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.662 . . . . 0.38 109.547 172.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -60.02 -48.15 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.785 -1.098 . . . . 0.41 111.465 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -85.52 -50.43 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.556 -0.293 . . . . 0.53 111.386 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.676 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 13.4 t-160 -144.72 98.58 3.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.437 . . . . 0.5 110.033 -176.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.555 ' HG3' HD12 ' A' ' 116' ' ' LEU . 30.5 ttt180 -60.41 115.25 3.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.528 -0.76 . . . . 2.87 110.334 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.8 p -136.29 142.95 41.64 Favored Pre-proline 0 N--CA 1.446 -0.628 0 CA-C-N 115.984 -0.553 . . . . 0.62 110.981 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_exo -67.38 -30.48 36.54 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.385 2.723 . . . . 0.76 113.54 -169.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.9 -43.96 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.528 0.204 . . . . 2.2 110.461 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 115' ' ' SER . 41.4 t -68.72 -39.17 79.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 109.917 -0.401 . . . . 0.35 109.917 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.38 -47.88 84.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.61 109.458 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -56.34 -50.09 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.384 -0.825 . . . . 2.04 110.724 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -58.79 -41.13 85.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.426 -0.806 . . . . 1.48 111.401 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.6 t -66.01 -43.31 88.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.283 -0.871 . . . . 0.91 109.914 -178.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.58 -39.8 94.39 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.813 -0.63 . . . . 1.38 110.218 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -67.99 -44.98 75.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.568 -0.742 . . . . 1.72 110.826 -176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.87 94.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.299 0.481 . . . . 0.29 112.299 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 1.6 pt-20 -71.14 -38.07 72.27 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.488 -0.485 . . . . 2.04 111.465 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -73.67 -32.54 64.03 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.622 -0.431 . . . . 1.9 110.05 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.63 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 34.1 mt -63.5 -39.43 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.48 110.108 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.56 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 1.2 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.751 0.31 . . . . 1.37 110.555 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 45.7 mmtm -69.51 -14.14 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.692 . . . . 3.36 110.142 174.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 134' ' ' ILE . 32.3 tt0 -94.97 -18.39 21.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.919 -1.037 . . . . 2.28 110.147 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 28.1 mm-40 -88.94 -28.75 20.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 1.75 111.739 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.295 -0.859 . . . . 2.99 111.003 -179.461 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.8 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.906 0.384 . . . . 3.26 110.746 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -60.76 -27.7 68.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.937 -0.574 . . . . 1.94 111.297 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.648 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 66.3 mttm -57.67 -47.75 81.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 2.19 110.696 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -63.88 -51.06 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.872 -0.603 . . . . 2.83 110.889 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -60.16 -29.41 68.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 2.26 110.761 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.46 110.205 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.52 -35.68 80.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.659 -0.7 . . . . 1.98 109.216 179.002 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -72.73 -35.86 67.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.508 -0.769 . . . . 2.88 110.526 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 50.6 mm-40 -67.46 -32.98 74.2 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.318 -0.401 . . . . 0.54 110.233 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -67.78 -35.34 78.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.8 109.667 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.8 -31.88 52.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.715 -0.675 . . . . 2.32 110.206 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -68.36 -38.28 81.28 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.299 -0.63 . . . . 0.6 109.299 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -75.86 -38.04 37.31 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.862 -0.895 . . . . 0.41 110.862 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 34.6 t-20 -64.84 -35.63 81.72 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.649 -0.5 . . . . 1.27 109.649 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.61 -44.94 88.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.687 -0.688 . . . . 0.93 109.74 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -74.69 -18.83 60.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.771 -0.65 . . . . 0.58 109.853 178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -74.11 -31.13 62.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.53 -0.759 . . . . 0.68 110.338 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 59.3 mttm -82.99 -14.09 54.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 1.62 110.627 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -104.72 26.75 8.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 2.31 111.694 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 64.72 -2.27 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.172 -0.467 . . . . 2.39 112.239 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.575 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -81.46 68.42 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 1.62 109.97 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -65.34 -31.7 72.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.786 -0.643 . . . . 0.71 111.844 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.82 -53.46 46.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.415 . . . . 1.93 110.145 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.1 m -65.43 -34.28 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.861 -0.608 . . . . 0.57 110.223 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.446 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -62.91 -48.48 78.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.726 -0.67 . . . . 0.39 110.872 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.718 ' HB2' HG11 ' A' ' 57' ' ' VAL . 2.1 tm? -66.46 -27.01 67.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.855 -0.611 . . . . 0.81 110.07 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.83 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 1.41 110.477 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -69.21 -39.23 78.74 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.262 -0.427 . . . . 0.47 110.486 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 4.8 m-85 -60.7 -45.99 92.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.998 0.428 . . . . 0.48 109.952 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.06 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.003 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.9 tptm -67.47 -42.82 82.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.763 -0.653 . . . . 1.25 110.015 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 17' ' ' GLU . . . -61.03 -31.58 71.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.026 -0.534 . . . . 0.26 110.222 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.72 -38.13 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.68 -0.691 . . . . 1.37 110.308 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.15 -28.57 62.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 2.78 110.13 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 7.6 mp -79.88 -24.0 41.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.61 -0.723 . . . . 0.49 110.502 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -162.22 83.62 1.65 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.11 110.405 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.31 -21.9 40.65 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.7 2.267 . . . . 0.64 112.545 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.8 p -71.69 -18.88 62.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.46 111.464 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.789 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.2 t30 -85.24 102.53 13.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 2.13 110.282 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.562 ' HG3' ' HG2' ' A' ' 83' ' ' GLU . 4.9 ppp? -68.56 -20.42 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 1.05 112.296 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.789 ' HB ' HD21 ' A' ' 47' ' ' ASN . 16.1 m -61.81 -35.11 77.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.608 0.242 . . . . 0.71 111.247 -179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.538 ' H ' HD22 ' A' ' 47' ' ' ASN . 20.1 m-85 -69.87 -43.03 72.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.881 0.372 . . . . 0.44 110.328 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 49.0 mt -63.01 -43.99 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.908 -0.587 . . . . 0.33 111.093 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.6 p -61.47 -38.22 86.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.28 110.451 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.464 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -65.77 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 1.59 110.144 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 37' ' ' TYR . 29.2 mt-30 -59.84 -49.16 78.81 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.478 -0.564 . . . . 1.34 109.478 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.46 -36.44 71.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.17 -0.923 . . . . 0.3 110.677 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.14 -35.22 71.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.035 -0.53 . . . . 0.3 110.215 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 34' ' ' LEU . 44.7 t -69.93 -47.33 69.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 0.33 110.31 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -58.59 -31.87 68.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 0.38 109.882 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -65.33 -29.44 70.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.638 -0.71 . . . . 0.56 109.729 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -87.69 -26.7 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.554 -0.748 . . . . 1.42 110.735 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -80.38 -16.38 54.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 1.1 110.936 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.39 -11.39 36.36 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.722 -0.751 . . . . 0.36 112.29 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 66' ' ' LYS . 7.6 m-20 -82.24 73.55 9.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.847 0.356 . . . . 1.26 110.885 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -66.09 -25.75 67.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.43 110.565 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.43 -43.88 76.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 2.18 110.092 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 6.0 tmtt? -69.55 -31.02 68.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.841 -0.618 . . . . 0.68 110.39 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.61 -50.05 70.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.166 0.508 . . . . 1.29 109.866 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.44 -22.8 62.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.561 -0.745 . . . . 3.39 110.037 179.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -71.37 -55.12 8.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 2.08 111.171 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 91.9 mt -71.47 -37.52 71.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.24 111.528 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' HG12 ' A' ' 75' ' ' ILE . 12.9 m -54.8 -59.06 5.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.27 . . . . 1.1 110.645 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -58.35 -36.29 73.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.298 -0.41 . . . . 2.09 110.225 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -62.3 -34.84 77.37 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.265 -0.642 . . . . 1.23 109.265 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 48' ' ' MET . . . -71.31 -32.38 68.55 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.417 -0.811 . . . . 0.19 109.78 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.669 HD12 HG23 ' A' ' 88' ' ' ILE . 28.0 mm -64.18 -38.11 81.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.258 -0.645 . . . . 0.23 109.258 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.55 -52.16 62.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 2.35 110.776 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.12 -51.79 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.847 -0.615 . . . . 0.25 111.55 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -57.66 -54.71 35.15 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 121.137 -0.554 . . . . 0.27 112.966 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -60.69 -12.4 10.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.997 0.427 . . . . 2.63 110.843 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.81 -31.77 12.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 1.96 111.239 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -99.05 19.04 15.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.444 -0.344 . . . . 1.35 111.465 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.4 mmt-85 57.95 27.61 14.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.405 -0.361 . . . . 4.67 111.517 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HG2' ' HG3' ' A' ' 48' ' ' MET . 9.9 tp10 -67.37 161.51 25.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 1.6 110.927 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 25.6 t70 -50.37 117.14 2.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.907 -0.588 . . . . 0.82 111.272 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.432 ' HA ' HD12 ' A' ' 88' ' ' ILE . 55.1 p90 -69.25 -25.39 64.25 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.149 -0.478 . . . . 0.44 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -59.89 -37.67 80.05 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.5 -0.556 . . . . 3.04 109.5 178.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -71.14 -34.1 70.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.752 -0.658 . . . . 1.46 109.297 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.669 HG23 HD12 ' A' ' 75' ' ' ILE . 22.8 mt -61.32 -38.33 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 115.341 -0.845 . . . . 0.25 110.015 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -69.42 -42.11 75.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.081 -0.508 . . . . 0.24 110.124 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 32.6 mmmt -60.34 -33.48 72.47 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.153 -0.684 . . . . 1.26 109.153 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 75' ' ' ILE . . . -70.53 -43.22 70.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.528 -0.76 . . . . 0.23 109.221 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -58.28 -35.35 71.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.173 -0.677 . . . . 0.24 109.173 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.71 -40.61 95.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.304 -0.862 . . . . 0.26 109.993 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -68.08 -34.99 77.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 1.5 110.416 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 91' ' ' ALA . 74.1 mt -63.67 -50.11 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 N-CA-C 108.777 -0.823 . . . . 0.28 108.777 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -67.35 -25.71 73.62 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.327 -0.851 . . . . 0.23 111.292 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 6.2 t-20 -74.25 -35.58 63.82 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.314 -0.624 . . . . 1.64 109.314 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -42.62 99.72 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.834 -0.802 . . . . 0.94 108.834 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.648 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.8 m-85 -71.12 -37.07 72.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.267 -0.879 . . . . 0.43 109.304 178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -61.0 -18.49 57.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.169 -0.923 . . . . 0.43 110.647 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -99.24 -32.69 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.74 111.824 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.648 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 14.6 pt-20 -90.18 17.02 7.5 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.718 0.294 . . . . 0.57 111.408 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 66.97 24.75 9.51 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.541 0.571 . . . . 1.47 112.541 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 52.6 mttm -105.49 52.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 1.89 110.259 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.548 ' HB2' HD13 ' A' ' 135' ' ' LEU . 73.4 m-85 -54.38 -26.6 31.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.46 111.959 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -62.55 -45.36 93.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.57 110.493 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.95 -25.08 40.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.67 110.013 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -63.19 -57.66 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.642 . . . . 0.22 110.652 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 43.6 mt -56.67 -32.11 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.012 -0.54 . . . . 0.51 111.055 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.466 ' NE2' ' HE3' ' A' ' 114' ' ' LYS . 71.8 t60 -60.2 -59.1 5.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.44 110.753 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -71.12 -23.72 62.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.32 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.87 -51.01 66.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.167 -0.679 . . . . 0.32 109.167 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -60.96 -30.32 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 1.77 110.212 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.466 ' HE3' ' NE2' ' A' ' 110' ' ' HIS . 57.3 mttt -67.43 -29.55 69.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.167 -0.469 . . . . 1.25 109.901 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.7 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.5 t -70.87 -32.0 68.86 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.402 -0.592 . . . . 1.04 109.402 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 120' ' ' ARG . 4.2 mm? -73.17 -25.17 60.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.657 -0.701 . . . . 0.38 109.687 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.42 65.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.619 -0.719 . . . . 0.41 111.012 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -86.9 -60.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.53 110.786 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.435 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 12.0 t-160 -138.38 100.38 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.5 110.698 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.569 ' HG3' HD12 ' A' ' 116' ' ' LEU . 35.8 ttm180 -59.58 124.45 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.0 p -139.82 144.06 37.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.62 111.062 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.97 -29.18 81.58 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.698 2.265 . . . . 0.76 112.553 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -62.97 -58.4 7.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.458 -0.337 . . . . 2.2 111.05 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.7 HG11 ' HB3' ' A' ' 115' ' ' SER . 12.4 t -64.11 -37.09 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.35 110.988 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tt -64.29 -30.68 71.72 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.503 -0.554 . . . . 0.61 109.503 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -77.09 -39.32 50.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.346 -0.843 . . . . 2.04 110.101 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -76.08 -21.55 56.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 1.48 110.554 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 43.0 t -72.14 -45.89 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.91 109.884 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -75.22 -27.01 59.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.73 -0.668 . . . . 1.38 109.751 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' OE1' ' HD3' ' A' ' 133' ' ' LYS . 7.6 tp60 -73.22 -40.52 64.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.524 -0.762 . . . . 1.72 110.849 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.15 81.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.29 111.864 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 133' ' ' LYS . 8.3 pt-20 -76.24 -40.11 52.82 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 121.056 -0.258 . . . . 2.04 111.459 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 132' ' ' GLU . 13.9 ptmm? -68.29 -27.35 66.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.736 0.303 . . . . 1.9 110.338 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 70.8 mt -80.98 -39.57 17.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.48 109.818 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.548 HD13 ' HB2' ' A' ' 105' ' ' TYR . 38.3 tp -59.52 -35.76 74.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.909 -0.587 . . . . 1.37 110.091 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -63.83 -41.85 97.75 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.195 -0.457 . . . . 3.36 110.129 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.45 -12.35 60.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.736 -0.665 . . . . 2.28 109.812 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -84.98 -34.51 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 1.75 110.547 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.9 pt-20 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.118 -0.944 . . . . 2.99 111.066 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' HG3' ' H ' ' A' ' 10' ' ' ASN . 4.4 tp10 . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.831 -0.433 . . . . 3.26 109.831 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.592 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 13.8 m120 -65.92 -30.09 70.61 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.084 0.401 . . . . 1.94 112.084 -171.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -56.32 -44.58 80.08 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 111.823 0.305 . . . . 2.19 111.823 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 12' ' ' LYS . 8.7 mtpm? -67.46 -44.07 79.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.051 0.453 . . . . 2.83 110.391 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.76 ' HB3' HD23 ' A' ' 43' ' ' LEU . 22.8 tt0 -62.53 -33.26 74.56 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 2.26 110.311 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.53 -36.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.46 110.747 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.663 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 2.8 tm? -63.01 -39.67 95.45 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.731 -0.84 . . . . 1.98 108.731 177.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -37.51 82.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.994 -0.548 . . . . 2.88 109.966 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -67.42 -35.17 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.373 -0.376 . . . . 0.54 110.829 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 24.5 ttpp -65.42 -38.85 91.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.578 -0.527 . . . . 0.8 109.578 174.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 6.0 mm-40 -66.08 -44.81 83.37 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.181 -0.463 . . . . 2.32 110.751 178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 1.3 mm? -62.74 -42.03 99.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.428 -0.351 . . . . 0.6 110.725 177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -61.2 -58.17 14.85 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.395 -0.682 . . . . 0.41 111.395 174.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 66.7 t30 -56.43 -37.34 70.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.076 0.465 . . . . 1.27 111.147 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -59.12 -48.51 81.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.215 -0.448 . . . . 0.93 110.734 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -67.77 -30.72 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.728 -0.669 . . . . 0.58 110.068 176.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 56.2 t80 -62.06 -38.58 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.092 -0.958 . . . . 0.68 110.38 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 5.8 mptp? -66.72 -27.44 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 1.62 110.845 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -87.06 1.42 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 2.31 110.226 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 59.51 25.11 13.87 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.479 -0.782 . . . . 2.39 111.127 -174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 16.2 t0 -86.09 66.02 9.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.914 -1.513 . . . . 1.62 106.914 171.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' HB3' HG13 ' A' ' 57' ' ' VAL . 26.5 m-85 -57.77 -48.05 80.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.775 -1.102 . . . . 0.71 113.594 -161.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -69.1 -30.48 68.79 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.581 -0.848 . . . . 1.93 110.851 -177.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 m -68.27 -39.89 82.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.29 0.567 . . . . 0.57 110.049 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.24 -56.88 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 0.39 109.441 172.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.847 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -51.7 -31.92 28.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.207 -1.361 . . . . 0.81 110.26 176.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.6 tppt? -70.49 -50.45 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.585 -0.734 . . . . 1.41 111.27 -176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.8 m-70 -71.23 -33.34 69.77 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.523 -0.471 . . . . 0.47 109.841 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.634 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 11.6 m-85 -60.16 -41.55 93.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.975 -0.557 . . . . 0.48 109.622 173.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.708 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 22.4 t70 -61.76 -45.9 91.93 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.98 -0.555 . . . . 1.51 109.987 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' O ' HD13 ' A' ' 43' ' ' LEU . 47.6 tptt -56.25 -45.71 79.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.356 -0.838 . . . . 1.25 109.953 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.88 72.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.193 -0.458 . . . . 0.26 111.43 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.595 ' HE3' HE22 ' A' ' 54' ' ' GLN . 11.0 ttmt -76.85 -24.94 52.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.144 0.497 . . . . 1.37 110.415 177.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 60.8 mm-40 -75.46 -33.5 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.408 0.623 . . . . 2.78 109.591 174.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.76 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -76.11 -46.87 26.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.179 -0.919 . . . . 0.49 110.392 177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -129.12 94.57 33.4 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.955 0.407 . . . . 1.11 110.829 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.04 -7.27 19.69 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 123.079 2.52 . . . . 0.64 112.809 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.7 p -106.37 -3.22 21.33 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.037 0.446 . . . . 0.46 111.314 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.494 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.0 t30 -92.05 92.51 8.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.151 0.501 . . . . 2.13 109.702 177.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.815 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.7 ptm -57.19 -27.68 62.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.287 -0.869 . . . . 1.05 112.219 -174.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.494 ' HB ' HD21 ' A' ' 47' ' ' ASN . 19.6 m -61.56 -26.41 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.71 111.633 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.8 m-30 -74.45 -32.42 62.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.148 0.499 . . . . 0.44 109.808 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.628 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 60.8 mt -80.03 -41.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.143 -0.935 . . . . 0.33 111.214 -175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.8 p -63.89 -31.49 72.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.22 0.533 . . . . 0.28 110.263 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.525 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.7 m-20 -75.44 -28.18 59.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 1.59 110.888 177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.718 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 92.3 mt-30 -65.45 -47.2 76.96 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.829 0.823 . . . . 1.34 109.213 171.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.99 -38.82 80.07 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.132 -1.395 . . . . 0.3 110.785 179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.42 70.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.585 -0.734 . . . . 0.3 110.866 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.847 HG11 ' HB2' ' A' ' 34' ' ' LEU . 90.7 t -63.48 -50.64 77.62 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.092 -0.504 . . . . 0.33 110.32 177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 61.4 m-85 -57.16 -37.6 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.455 -0.339 . . . . 0.38 110.768 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -57.82 -41.4 82.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.965 -0.561 . . . . 0.56 110.001 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -73.93 -33.82 64.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 1.42 110.577 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.4 mtmt -68.94 -15.17 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.353 -0.839 . . . . 1.1 111.493 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.9 1.86 61.37 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.553 -0.619 . . . . 0.36 111.553 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -97.29 76.89 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.271 0.558 . . . . 1.26 110.357 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -71.78 -29.91 64.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.682 -0.69 . . . . 0.43 110.754 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.95 -39.81 90.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.519 . . . . 2.18 110.474 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 53.1 tptt -74.43 -31.07 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 0.68 110.771 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.8 t -61.86 -51.24 69.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.478 -0.328 . . . . 1.29 110.376 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.496 ' HB2' HG23 ' A' ' 95' ' ' ILE . 7.5 ppt_? -68.25 -26.38 65.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.749 0.309 . . . . 3.39 110.4 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 8.4 tp10 -57.68 -58.9 6.29 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.602 -0.726 . . . . 2.08 110.583 174.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 80.6 mt -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.274 -0.875 . . . . 0.24 112.098 -173.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB2' HG12 ' A' ' 95' ' ' ILE . 84.1 m -65.66 -47.44 75.5 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.554 -0.458 . . . . 1.1 111.406 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.36 -30.14 70.94 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.175 -0.305 . . . . 2.09 110.175 176.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -66.0 -49.08 69.05 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.816 -0.438 . . . . 1.23 109.816 175.173 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.628 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.88 -45.68 91.73 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.19 110.429 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.815 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 53.5 mt -61.95 -43.26 97.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.275 -0.42 . . . . 0.23 110.439 178.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -55.85 -47.85 76.55 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.584 -0.524 . . . . 2.35 109.584 176.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 36.2 t -59.88 -47.43 91.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.169 -0.923 . . . . 0.25 111.525 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.52 -53.47 24.51 Favored Glycine 0 C--O 1.221 -0.682 0 CA-C-N 115.871 -0.604 . . . . 0.27 112.474 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HD3' HG22 ' A' ' 75' ' ' ILE . 15.2 ptt180 -65.25 -20.18 66.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.314 0.578 . . . . 2.63 110.236 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -72.86 -47.74 43.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 1.96 110.511 173.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.13 5.88 44.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.539 -0.755 . . . . 1.35 110.873 -176.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 62.93 38.04 11.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.593 -0.73 . . . . 4.67 110.803 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.3 tp10 -75.86 168.42 20.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.058 -0.974 . . . . 1.6 110.246 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -47.16 117.54 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.113 0.783 . . . . 0.82 113.113 -176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 49.3 p90 -75.73 -23.61 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.332 -0.849 . . . . 0.44 110.838 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -68.04 -37.92 81.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.93 -0.767 . . . . 3.04 108.93 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -65.07 -45.56 84.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.439 -1.255 . . . . 1.46 109.859 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 15.1 mt -53.67 -43.25 54.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.604 -0.726 . . . . 0.25 111.566 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.76 -35.85 79.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.381 -0.372 . . . . 0.24 110.968 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -74.11 -30.78 62.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.036 0.446 . . . . 1.26 109.806 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.23 -40.05 93.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.797 -0.638 . . . . 0.23 109.766 172.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 16.0 m-85 -63.52 -43.61 96.68 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.115 -0.493 . . . . 0.24 111.285 175.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.38 -31.04 72.08 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.996 -0.547 . . . . 0.26 110.326 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -75.55 -38.71 59.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.914 -0.585 . . . . 1.5 109.942 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -59.73 -55.49 23.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-O 121.138 0.494 . . . . 0.28 110.086 173.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.63 -37.66 93.79 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 115.284 -0.871 . . . . 0.23 111.951 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.707 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 2.2 t-20 -67.48 -31.53 71.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.651 0.262 . . . . 1.64 110.346 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.5 m -61.72 -48.75 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.156 0.503 . . . . 0.94 109.96 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.547 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 67.7 m-85 -64.15 -36.41 83.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.472 -0.785 . . . . 0.43 110.396 176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.2 -31.03 68.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.838 -1.074 . . . . 0.43 110.816 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 28.0 mmmt -83.37 -39.29 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.034 0.445 . . . . 0.74 110.395 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -84.51 1.09 47.31 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.855 -0.611 . . . . 0.57 111.281 -171.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 26.2 mt-10 76.17 24.85 1.09 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.359 -0.837 . . . . 1.47 111.477 176.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 36.6 mtpt -102.01 59.89 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.593 . . . . 1.89 109.471 172.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.508 ' HB2' HD13 ' A' ' 135' ' ' LEU . 81.6 m-85 -64.55 -26.18 68.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.497 -0.774 . . . . 0.46 112.452 -172.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -60.8 -46.62 89.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.278 0.561 . . . . 1.57 109.748 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -74.09 -32.04 63.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.33 -0.85 . . . . 0.67 110.271 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.95 -56.92 15.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.888 -0.597 . . . . 0.22 110.374 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 128' ' ' CYS . 16.0 mt -61.99 -34.01 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.423 -0.808 . . . . 0.51 111.338 -178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -56.14 -57.67 11.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.053 0.454 . . . . 0.44 110.28 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.6 m-85 -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.755 -0.657 . . . . 0.32 111.079 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 5.8 m-30 -61.44 -54.74 39.49 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.385 -0.598 . . . . 0.32 109.385 169.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.439 ' HA ' HD23 ' A' ' 116' ' ' LEU . 20.2 t-20 -58.93 -29.95 67.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.77 110.587 177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 25.0 mmtt -65.15 -34.25 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 1.25 110.668 174.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.65 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.5 t -68.39 -42.94 78.35 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.009 -0.737 . . . . 1.04 109.009 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -61.48 -23.04 65.62 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.234 0.54 . . . . 0.38 110.178 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -77.13 -36.86 55.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.487 -0.778 . . . . 0.41 111.374 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -94.4 -50.56 5.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.53 111.424 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.661 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 11.4 t-160 -146.12 97.67 2.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.057 0.456 . . . . 0.5 109.886 -176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 116' ' ' LEU . 51.7 ttp180 -61.8 110.68 1.6 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.43 -0.805 . . . . 2.87 111.143 -177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 13.0 p -129.44 134.24 26.03 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 121.687 0.756 . . . . 0.62 111.173 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 8.0 Cg_endo -47.31 -40.08 27.95 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 125.268 3.979 . . . . 0.76 114.781 -177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.89 -40.89 75.38 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 111.561 0.208 . . . . 2.2 111.561 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.65 HG11 ' HB3' ' A' ' 115' ' ' SER . 6.0 t -72.05 -33.47 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.013 -0.675 . . . . 0.35 109.602 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.3 -48.01 83.33 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.892 -0.781 . . . . 0.61 108.892 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -55.94 -51.06 69.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.065 -0.97 . . . . 2.04 110.586 174.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.41 -37.67 88.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.25 -0.886 . . . . 1.48 112.029 -178.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 109' ' ' ILE . 38.7 t -66.55 -45.08 80.57 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.94 -0.573 . . . . 0.91 109.939 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -68.62 -31.56 70.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.843 -0.617 . . . . 1.38 110.361 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.542 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 38.3 tt0 -69.06 -45.79 69.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.585 -0.734 . . . . 1.72 110.604 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.23 86.77 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.072 0.397 . . . . 0.29 112.072 -175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.5 pt-20 -72.78 -36.39 67.61 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.487 -0.485 . . . . 2.04 111.39 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 14.6 ptmm? -71.38 -35.33 71.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.494 -0.483 . . . . 1.9 109.718 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.8 mt -65.26 -46.95 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 CA-C-N 115.778 -0.646 . . . . 0.48 110.717 174.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 105' ' ' TYR . 41.9 tp -61.52 -30.29 70.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 1.37 110.363 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -65.39 -32.28 73.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 3.36 110.244 175.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 19.2 mt-10 -77.26 -25.91 51.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 2.28 110.02 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 82.3 mm-40 -77.8 -43.92 29.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.685 -0.689 . . . . 1.75 111.487 -176.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 7.9 pt-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 119.491 -0.29 . . . . 2.99 110.854 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 30.3 tt0 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.819 -0.437 . . . . 3.26 109.819 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 85.0 m-20 -55.49 -37.1 67.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.953 0.353 . . . . 1.94 111.953 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -53.98 -39.42 66.01 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.948 0.404 . . . . 2.19 111.482 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -66.81 -47.86 70.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.094 0.473 . . . . 2.83 110.288 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.678 ' HB3' HD23 ' A' ' 43' ' ' LEU . 24.6 tt0 -65.19 -27.38 68.66 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.13 -0.487 . . . . 2.26 110.65 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -60.83 -37.97 83.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.076 0.465 . . . . 0.46 110.679 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.2 tm? -64.95 -39.66 93.82 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.047 -0.723 . . . . 1.98 109.047 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' HD23 ' A' ' 20' ' ' LEU . 55.4 tttp -61.38 -48.22 82.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 2.88 110.352 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 32.9 mm-40 -59.97 -34.44 73.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.54 111.397 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -63.4 -43.44 97.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.8 110.315 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.34 -37.85 65.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.056 -0.52 . . . . 2.32 111.009 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 ' HG2' ' A' ' 16' ' ' LYS . 2.3 mm? -61.88 -40.45 95.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.038 0.447 . . . . 0.6 110.306 176.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.8 -50.24 43.3 Favored Glycine 0 C--O 1.225 -0.459 0 N-CA-C 111.552 -0.619 . . . . 0.41 111.552 174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' HB2' ' OH ' ' A' ' 37' ' ' TYR . 58.6 t30 -54.69 -37.82 66.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.216 0.532 . . . . 1.27 111.493 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -63.25 -51.88 64.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.754 -0.657 . . . . 0.93 110.457 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.38 0.61 . . . . 0.58 110.307 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 59.6 t80 -57.71 -32.21 67.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.893 -1.048 . . . . 0.68 110.327 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.27 -9.21 57.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.409 -0.814 . . . . 1.62 111.529 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -106.92 16.84 23.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 2.31 110.606 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 29.1 mtpp 58.04 20.63 7.04 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.07 -0.513 . . . . 2.39 111.24 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.486 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.3 t0 -95.3 67.99 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.144 -1.058 . . . . 1.62 108.144 176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.6 m-85 -71.75 -17.91 62.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.519 -0.764 . . . . 0.71 111.918 -169.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 20.0 m-20 -72.83 -47.56 45.33 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.612 -0.514 . . . . 1.93 109.612 173.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -69.8 -35.69 75.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.57 110.624 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.63 -56.15 24.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.502 . . . . 0.39 110.461 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.907 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -61.49 -31.33 71.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.218 -0.901 . . . . 0.81 109.849 179.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.37 -50.23 72.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.699 -0.682 . . . . 1.41 111.095 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.7 m-70 -74.06 -35.09 64.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 120.692 -0.403 . . . . 0.47 110.568 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 2.1 m-85 -61.75 -44.77 96.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.198 -0.455 . . . . 0.48 110.67 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.81 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 32.3 t70 -68.16 -36.89 80.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.119 -0.491 . . . . 1.51 110.072 175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.4 tptm -57.18 -45.68 83.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.334 -0.848 . . . . 1.25 110.273 174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.64 -27.7 66.58 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.326 -0.397 . . . . 0.26 110.912 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 58.7 tttm -79.26 -31.98 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.339 -0.392 . . . . 1.37 110.745 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.42 -29.63 66.29 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.159 -0.682 . . . . 2.78 109.159 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 13' ' ' GLN . 10.3 mp -79.83 -43.63 22.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.223 -0.899 . . . . 0.49 110.526 176.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 37.9 t0 -140.58 97.16 7.47 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.023 0.44 . . . . 1.11 111.143 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.15 -12.64 15.84 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.847 2.365 . . . . 0.64 113.015 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.9 p -90.84 -14.81 31.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.135 0.493 . . . . 0.46 110.987 -177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.514 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 7.8 t30 -83.83 92.24 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.438 -0.578 . . . . 2.13 109.438 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.9 ppp? -52.68 -31.7 38.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.893 -1.049 . . . . 1.05 111.531 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 ' HB ' HD21 ' A' ' 47' ' ' ASN . 65.2 m -62.89 -34.01 76.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.71 111.536 -174.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.663 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.4 m-30 -62.33 -46.09 90.27 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 109.377 -0.601 . . . . 0.44 109.377 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.631 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.1 mt -63.55 -44.62 98.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.729 -1.123 . . . . 0.33 111.359 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 74' ' ' ALA . 68.7 p -65.66 -25.0 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.028 0.442 . . . . 0.28 111.246 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.539 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 2.0 m120 -79.41 -34.61 41.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.144 -0.48 . . . . 1.59 110.859 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.81 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 28.4 mt-30 -61.17 -44.65 96.98 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.899 0.857 . . . . 1.34 108.817 173.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.27 -37.58 75.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 113.906 -1.497 . . . . 0.3 111.042 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.41 71.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.976 -0.556 . . . . 0.3 110.696 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.95 HG12 ' HD3' ' A' ' 61' ' ' LYS . 61.7 t -66.5 -46.06 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 CA-C-N 116.084 -0.507 . . . . 0.33 110.319 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 61.1 m-85 -59.78 -37.67 79.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.259 -0.428 . . . . 0.38 110.357 178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 31.7 t80 -58.65 -43.38 89.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.868 -0.605 . . . . 0.56 110.355 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -70.38 -36.32 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.73 -0.668 . . . . 1.42 110.723 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.95 ' HD3' HG12 ' A' ' 57' ' ' VAL . 6.3 mtpp -69.37 -15.35 63.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.889 -1.051 . . . . 1.1 112.008 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.72 1.47 60.15 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.783 -0.722 . . . . 0.36 112.007 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -96.85 78.03 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.601 -0.518 . . . . 1.26 109.601 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.633 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 83.4 m-85 -70.48 -27.67 64.39 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.43 110.484 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -61.94 -50.28 72.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.833 -0.621 . . . . 2.18 109.811 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 49.9 tptt -67.88 -38.16 82.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.695 0.283 . . . . 0.68 110.928 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.485 ' SG ' ' HB2' ' A' ' 59' ' ' PHE . 26.2 t -54.6 -50.75 67.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 1.29 110.559 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 64' ' ' TYR . 40.8 ptt85 -71.85 -32.23 67.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.752 -0.379 . . . . 3.39 110.757 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -56.53 -48.05 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.163 0.506 . . . . 2.08 111.195 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 67.9 mt -78.1 -32.86 50.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.824 -0.625 . . . . 0.24 112.085 -176.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.531 ' HB2' HG12 ' A' ' 95' ' ' ILE . 87.1 m -62.39 -46.96 86.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.83 -0.348 . . . . 1.1 111.555 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 3.3 pt-20 -66.76 -35.2 79.54 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 120.673 -0.411 . . . . 2.09 110.38 177.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -49.1 77.14 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.736 -0.468 . . . . 1.23 109.736 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.631 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.04 -40.34 89.07 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.19 110.46 177.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 71' ' ' CYS . 57.0 mt -64.63 -40.7 89.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.445 -0.343 . . . . 0.23 110.86 178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.656 ' HG2' ' O ' ' A' ' 72' ' ' GLU . 12.2 mm-40 -61.78 -35.79 79.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.289 0.566 . . . . 2.35 109.862 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 54.7 t -71.78 -43.32 69.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.219 -0.901 . . . . 0.25 111.223 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.41 -35.33 68.77 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.694 . . . . 0.27 111.808 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.09 -40.62 94.85 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.787 -0.82 . . . . 2.63 108.787 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.504 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 11.0 tt0 -54.99 -53.88 50.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.376 -1.283 . . . . 1.96 111.781 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -100.65 5.74 43.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.72 -0.673 . . . . 1.35 111.679 -169.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 62.11 49.47 4.46 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.69 -0.687 . . . . 4.67 111.087 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -81.89 166.58 19.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.174 -0.921 . . . . 1.6 109.963 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -41.57 108.8 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.457 0.703 . . . . 0.82 111.927 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.481 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 21.9 p90 -72.87 -21.89 60.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.224 0.535 . . . . 0.44 110.427 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 71.7 mtm180 -64.17 -45.95 86.15 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.756 -0.831 . . . . 3.04 108.756 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -58.09 -41.5 83.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.324 -1.307 . . . . 1.46 110.315 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.9 mt -58.45 -41.5 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.617 -0.72 . . . . 0.25 111.354 175.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.56 -36.76 85.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.969 0.414 . . . . 0.24 110.529 177.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 13.4 mmmm -67.37 -34.68 77.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 1.26 109.411 176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.81 -46.23 88.95 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.551 -0.749 . . . . 0.23 110.128 172.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' CE2' HD13 ' A' ' 75' ' ' ILE . 24.0 m-85 -58.1 -45.16 87.69 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.477 -0.329 . . . . 0.24 111.381 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.49 80.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.938 -0.574 . . . . 0.26 110.477 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -73.52 -38.27 65.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 1.5 110.386 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.619 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.7 mt -58.53 -54.08 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.437 -0.579 . . . . 0.28 109.437 173.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -60.87 -38.39 95.28 Favored Glycine 0 N--CA 1.44 -1.047 0 CA-C-N 114.998 -1.001 . . . . 0.23 112.225 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.635 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 7.4 t-20 -72.17 -27.37 62.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.81 0.305 . . . . 1.64 110.979 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 m -65.52 -45.7 82.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.457 -0.572 . . . . 0.94 109.457 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 56.2 m-85 -59.54 -44.26 93.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.413 -0.812 . . . . 0.43 109.672 171.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.446 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 61.7 t80 -53.11 -46.3 68.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.944 -1.025 . . . . 0.43 111.022 178.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -69.17 -33.49 73.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.74 110.937 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 3.8 pt-20 -89.72 6.16 42.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.4 -0.363 . . . . 0.57 111.121 -173.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 76.5 11.9 2.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.691 0.797 . . . . 1.47 111.138 177.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HB2' ' CG ' ' A' ' 102' ' ' GLU . 13.0 tttm -89.92 58.38 4.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.979 -0.555 . . . . 1.89 109.745 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.708 ' HB2' HD13 ' A' ' 135' ' ' LEU . 73.7 m-85 -65.23 -31.6 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.001 0.741 . . . . 0.46 113.001 -170.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -61.21 -36.01 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.345 0.593 . . . . 1.57 110.079 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.483 ' OD2' ' HG2' ' A' ' 104' ' ' LYS . 13.7 m-20 -82.13 -29.4 31.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 0.67 110.164 178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.03 -58.96 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.64 -0.709 . . . . 0.22 109.857 176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.572 HG23 ' SG ' ' A' ' 128' ' ' CYS . 8.0 mt -57.05 -34.22 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.51 111.071 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 53.9 t60 -54.02 -60.66 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.44 110.615 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.433 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 85.1 m-85 -77.5 -20.41 54.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.301 -0.408 . . . . 0.32 111.425 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.8 m-30 -60.04 -55.66 31.18 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.735 -0.386 . . . . 0.32 109.996 172.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' HD23 ' A' ' 116' ' ' LEU . 17.6 t-20 -60.85 -25.97 67.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.243 0.544 . . . . 1.77 110.731 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.5 mmtm -70.65 -29.78 66.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.539 -0.755 . . . . 1.25 110.856 175.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.644 ' HB3' HG11 ' A' ' 124' ' ' VAL . 36.1 t -71.41 -42.1 68.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.024 -0.732 . . . . 1.04 109.024 173.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.504 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -59.98 -24.31 64.33 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.674 -0.694 . . . . 0.38 109.812 173.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -74.98 -31.83 61.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.326 -0.852 . . . . 0.41 111.692 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -99.99 -49.99 4.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.824 0.305 . . . . 0.53 111.824 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.7 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.1 t-160 -142.81 96.49 2.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.458 0.646 . . . . 0.5 109.637 -176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 116' ' ' LEU . 45.8 ttm105 -66.36 110.73 3.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.987 -1.006 . . . . 2.87 110.936 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 2.8 p -137.29 146.92 56.07 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.438 -0.801 . . . . 0.62 110.508 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.0 Cg_exo -64.01 -25.09 66.56 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.482 2.788 . . . . 0.76 113.372 -171.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.48 -50.96 65.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 120.633 0.254 . . . . 2.2 110.676 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.644 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -73.06 -32.78 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.372 -0.531 . . . . 0.35 109.934 -177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -61.98 -47.41 84.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.969 -0.752 . . . . 0.61 108.969 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -56.68 -48.64 77.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.161 -0.927 . . . . 2.04 110.594 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 8.3 mptt -62.08 -37.72 86.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.765 -0.652 . . . . 1.48 111.593 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.572 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.1 t -66.71 -37.53 84.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.934 -0.575 . . . . 0.91 110.131 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -72.75 -41.9 64.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.679 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 134' ' ' ILE . 39.7 tp60 -55.86 -56.24 22.93 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.248 -0.887 . . . . 1.72 110.506 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.61 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.396 -0.366 . . . . 0.29 111.783 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.658 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 12.2 tt0 -67.98 -47.95 67.15 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.67 -0.412 . . . . 2.04 110.37 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 20.4 ptmt -69.49 -30.29 68.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 1.9 110.418 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 130' ' ' GLN . 64.6 mt -68.14 -41.48 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.083 0.468 . . . . 0.48 110.791 174.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' A' ' 105' ' ' TYR . 22.9 tp -61.69 -31.24 71.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.516 . . . . 1.37 110.173 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 54.6 mttm -66.61 -32.56 73.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 3.36 110.171 176.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -67.9 -34.11 76.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.339 0.59 . . . . 2.28 109.613 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -69.46 -45.84 68.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.27 -0.877 . . . . 1.75 111.515 -175.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.076 -0.964 . . . . 2.99 111.041 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.636 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.1 tp10 . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 121.169 0.509 . . . . 3.26 110.083 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 2.9 m-20 -61.89 -22.24 65.4 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.481 -0.782 . . . . 1.94 111.284 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.636 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 56.2 mttm -59.94 -48.09 83.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 2.19 111.119 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -67.4 -39.38 85.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.086 0.47 . . . . 2.83 110.246 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.753 ' HB3' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.16 -28.03 67.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.888 -0.596 . . . . 2.26 110.211 177.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.671 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -64.59 -34.87 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.46 110.642 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.6 mt -66.58 -37.99 86.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.227 -0.442 . . . . 1.98 109.859 174.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -64.01 -46.13 85.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 2.88 109.91 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 38.6 mm-40 -63.32 -40.43 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.861 -0.608 . . . . 0.54 111.058 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 17.8 ttpp -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.779 -0.368 . . . . 0.8 110.454 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -66.45 -43.58 85.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.6 -0.273 . . . . 2.32 110.988 177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.94 -40.2 94.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.999 0.428 . . . . 0.6 110.642 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -49.31 64.96 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.647 -0.706 . . . . 0.41 111.518 174.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.961 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 4.1 t-20 -62.74 -35.91 81.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.324 0.583 . . . . 1.27 110.707 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.44 -45.43 90.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.412 -0.813 . . . . 0.93 110.654 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.32 -32.91 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.368 0.604 . . . . 0.58 110.16 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 77.6 t80 -58.56 -38.53 78.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.996 -1.002 . . . . 0.68 110.249 175.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 96.8 mttt -74.39 -13.61 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.22 -0.9 . . . . 1.62 111.277 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -105.45 11.58 32.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.315 -0.402 . . . . 2.31 110.733 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 60.54 22.99 12.7 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.197 0.522 . . . . 2.39 111.342 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.1 t0 -95.14 64.25 2.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.451 -1.315 . . . . 1.62 107.451 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' HB3' HG13 ' A' ' 57' ' ' VAL . 83.8 m-85 -64.63 -28.46 69.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.243 -0.89 . . . . 0.71 112.467 -167.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 7.8 m-20 -68.53 -43.04 77.6 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.635 -0.426 . . . . 1.93 110.306 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.5 m -69.37 -35.3 75.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.963 -0.562 . . . . 0.57 110.27 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -56.93 14.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.879 -0.601 . . . . 0.39 110.162 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.942 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.24 -27.96 67.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.162 -0.926 . . . . 0.81 109.907 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.46 -52.29 58.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 1.41 110.562 179.151 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.28 -30.94 60.56 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.47 110.845 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.961 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 6.1 m-85 -61.38 -50.02 74.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.998 0.428 . . . . 0.48 110.195 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.505 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 20.1 t70 -63.35 -38.74 92.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.694 -0.685 . . . . 1.51 110.238 176.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.587 ' O ' HD13 ' A' ' 43' ' ' LEU . 55.6 tptt -59.76 -42.76 93.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.176 -0.92 . . . . 1.25 110.169 174.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.295 -0.411 . . . . 0.26 110.418 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.88 -29.88 68.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.411 0.624 . . . . 1.37 110.19 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.13 -33.29 73.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.697 -0.683 . . . . 2.78 109.708 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.753 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.4 mp -79.25 -41.06 29.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.133 -0.94 . . . . 0.49 110.907 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' OD1' ' HG2' ' A' ' 11' ' ' LYS . 14.9 t70 -138.91 101.08 7.88 Favored Pre-proline 0 C--O 1.218 -0.567 0 C-N-CA 120.824 -0.35 . . . . 1.11 110.804 171.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.1 -14.65 15.01 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.293 2.662 . . . . 0.64 112.519 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 p -86.12 14.85 5.72 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 122.09 0.948 . . . . 0.46 110.345 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.627 HD21 ' N ' ' A' ' 51' ' ' ILE . 1.8 p-10 -84.06 138.78 32.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 113.937 -1.483 . . . . 2.13 110.026 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.507 ' HE1' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -85.71 -40.86 15.68 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 119.519 -0.873 . . . . 1.05 110.355 163.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.432 HG22 ' H ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -64.78 -59.24 4.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.274 0.842 . . . . 0.71 113.274 -168.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.671 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 1.8 m-30 -49.25 -31.7 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.44 110.983 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.627 ' N ' HD21 ' A' ' 47' ' ' ASN . 77.0 mt -77.61 -43.86 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 115.959 -0.564 . . . . 0.33 110.534 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.518 HG21 ' HB2' ' A' ' 91' ' ' ALA . 62.1 p -69.26 -28.92 66.74 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.141 0.496 . . . . 0.28 110.055 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.424 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -66.88 -41.73 86.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 1.59 109.433 175.245 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 26.2 mt-30 -58.38 -48.95 78.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.142 0.496 . . . . 1.34 109.896 172.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.53 -41.78 73.63 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.127 -0.942 . . . . 0.3 110.717 178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.88 -39.4 77.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.613 -0.721 . . . . 0.3 110.746 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.942 HG11 ' HB2' ' A' ' 34' ' ' LEU . 61.1 t -64.67 -48.69 83.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 CA-C-N 116.308 -0.405 . . . . 0.33 110.541 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.502 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 63.8 m-85 -56.59 -38.29 71.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.696 0.284 . . . . 0.38 110.618 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -55.41 -45.76 76.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.841 -0.618 . . . . 0.56 109.842 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mm-40 -73.59 -29.46 62.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.508 -0.769 . . . . 1.42 110.747 178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HG3' HG12 ' A' ' 57' ' ' VAL . 39.6 mtmt -74.09 -23.09 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.572 -0.74 . . . . 1.1 110.964 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 107.8 0.37 34.22 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.36 112.328 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 58' ' ' TYR . 8.7 t0 -97.13 84.74 3.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.013 -0.366 . . . . 1.26 110.013 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -77.64 -16.52 58.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.063 0.459 . . . . 0.43 110.358 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -73.92 -50.2 21.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 2.18 110.23 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.1 tptt -62.18 -38.58 89.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.68 110.63 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.9 t -57.6 -47.66 81.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.032 -0.531 . . . . 1.29 109.643 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.632 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 24.7 ttp-105 -59.78 -39.77 86.02 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.354 0.597 . . . . 3.39 110.97 174.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 42.4 tt0 -58.49 -50.47 73.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.275 -0.875 . . . . 2.08 111.278 178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 71.0 mt -81.0 -37.95 28.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.157 -0.474 . . . . 0.24 112.208 -170.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.632 ' SG ' ' HA ' ' A' ' 68' ' ' ARG . 6.6 p -57.53 -57.71 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 111.669 0.248 . . . . 1.1 111.669 -177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.61 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.292 -0.413 . . . . 2.09 110.91 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -62.27 -50.59 71.1 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 173.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.08 -43.8 91.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.723 -0.672 . . . . 0.19 110.877 178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 mt -61.76 -43.91 97.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.23 110.433 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.84 -48.38 79.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.96 -0.564 . . . . 2.35 109.677 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.7 t -59.68 -49.74 82.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 114.977 -1.01 . . . . 0.25 111.843 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.62 -45.19 78.67 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.816 -0.707 . . . . 0.27 112.428 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 79' ' ' ARG . 26.2 ttt85 -65.53 -23.73 66.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.62 0.724 . . . . 2.63 109.664 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -79.54 -45.65 18.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.958 -1.019 . . . . 1.96 110.542 174.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -99.51 27.98 4.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.411 -0.813 . . . . 1.35 111.438 -172.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 28.84 9.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.163 0.985 . . . . 4.67 112.799 172.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -75.2 163.43 27.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.693 -0.685 . . . . 1.6 110.625 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 24.0 t70 -50.99 118.57 3.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.482 -0.781 . . . . 0.82 111.938 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 9.8 p90 -78.57 -21.35 48.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.369 -0.378 . . . . 0.44 110.958 -178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 92.9 mtt180 -64.88 -38.42 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.704 -0.85 . . . . 3.04 108.704 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.436 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 5.7 tp-100 -65.18 -40.98 94.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.195 -1.366 . . . . 1.46 109.96 172.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 11.7 mt -58.81 -40.66 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 115.757 -0.656 . . . . 0.25 111.259 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.72 -38.42 90.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.986 0.422 . . . . 0.24 110.603 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 2.6 mmmp? -70.1 -26.81 64.15 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.741 -0.466 . . . . 1.26 109.741 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.15 -51.99 57.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.946 -0.57 . . . . 0.23 109.657 170.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 24.1 m-85 -53.05 -42.94 66.27 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 123.832 0.708 . . . . 0.24 111.821 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.84 89.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.045 -0.525 . . . . 0.26 110.718 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 72.3 mtt85 -66.57 -40.03 88.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.385 . . . . 1.5 110.449 176.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.7 mt -62.44 -52.19 62.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-O 121.126 0.488 . . . . 0.28 109.724 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.29 -36.01 89.75 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 115.269 -0.878 . . . . 0.23 111.707 178.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 55.8 t30 -75.57 -26.39 57.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.712 -0.287 . . . . 1.64 110.83 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.7 m -64.2 -47.41 79.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.154 -0.684 . . . . 0.94 109.154 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.524 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 61.1 m-85 -62.75 -42.45 99.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.131 -0.941 . . . . 0.43 110.255 174.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -53.05 -46.08 68.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.156 -0.929 . . . . 0.43 110.615 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.5 mmmt -70.48 -37.44 74.24 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.253 -0.431 . . . . 0.74 111.095 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.505 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.2 pt-20 -83.92 -0.53 51.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.57 111.175 -172.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 78.16 24.96 0.64 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.296 -0.865 . . . . 1.47 111.156 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 49.3 mttp -102.86 66.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.379 -0.6 . . . . 1.89 109.379 171.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.411 ' HB2' HD13 ' A' ' 135' ' ' LEU . 83.1 m-85 -66.64 -28.59 68.6 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.482 -0.781 . . . . 0.46 112.732 -172.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -64.61 -42.51 95.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.965 0.412 . . . . 1.57 110.4 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.09 -28.49 57.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.67 110.357 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.36 -57.17 13.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.699 -0.682 . . . . 0.22 110.33 176.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.705 HG23 ' SG ' ' A' ' 128' ' ' CYS . 16.6 mt -61.22 -32.33 52.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.126 -0.943 . . . . 0.51 111.265 -178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -54.14 -60.34 3.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.028 -0.533 . . . . 0.44 110.49 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.452 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 93.7 m-85 -76.54 -20.57 56.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.856 -0.611 . . . . 0.32 111.031 -176.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -60.96 -56.2 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.866 -0.42 . . . . 0.32 109.866 171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' HD23 ' A' ' 116' ' ' LEU . 24.7 t-20 -61.33 -25.41 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.024 0.44 . . . . 1.77 110.871 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.9 mmtm -69.35 -29.95 67.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 1.25 110.888 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.659 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.4 t -72.25 -43.06 64.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.873 -0.788 . . . . 1.04 108.873 173.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.5 mm? -58.32 -29.3 65.8 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.38 109.765 173.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -65.42 -52.0 56.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.235 -0.893 . . . . 0.41 111.23 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -81.3 -50.52 9.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.405 -0.362 . . . . 0.53 111.8 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.69 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.8 t-160 -144.09 97.34 3.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.454 0.645 . . . . 0.5 109.417 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 120' ' ' ARG . 17.8 ttp180 -60.72 112.34 1.98 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.624 -1.171 . . . . 2.87 111.232 -177.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 16.1 p -129.27 134.5 26.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 115.484 -0.78 . . . . 0.62 110.944 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.539 ' O ' ' HB3' ' A' ' 126' ' ' LYS . 11.1 Cg_endo -51.72 -31.87 43.17 Favored 'Trans proline' 0 C--N 1.337 -0.072 0 C-N-CA 124.718 3.612 . . . . 0.76 113.684 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -74.39 -47.31 34.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 111.815 0.302 . . . . 2.2 111.815 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 115' ' ' SER . 16.3 t -67.22 -31.72 54.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 119.755 -0.778 . . . . 0.35 109.6 177.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.73 -46.78 80.8 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.202 -0.666 . . . . 0.61 109.202 173.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.04 -36.07 80.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.356 -0.838 . . . . 2.04 110.27 177.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -76.82 -35.49 57.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.023 -0.989 . . . . 1.48 111.403 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.705 ' SG ' HG23 ' A' ' 109' ' ' ILE . 37.6 t -67.54 -45.28 76.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.924 -0.58 . . . . 0.91 110.582 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.85 -25.93 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 1.38 110.691 177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.432 ' O ' HG13 ' A' ' 134' ' ' ILE . 8.3 tt0 -67.43 -44.8 77.86 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.177 -0.465 . . . . 1.72 110.319 178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -66.58 -40.2 88.81 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.171 0.434 . . . . 0.29 112.171 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.46 -35.28 77.35 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.479 -0.488 . . . . 2.04 111.229 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 15.1 ptmm? -74.57 -39.2 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.415 -0.514 . . . . 1.9 109.932 176.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 27.7 mt -58.94 -50.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 116.333 -0.394 . . . . 0.48 110.721 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 24.9 tp -62.51 -37.51 86.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.057 -0.52 . . . . 1.37 110.269 -178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -62.4 -35.12 78.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 3.36 110.387 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 39.8 mt-10 -73.96 -26.59 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 2.28 110.672 177.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 85.8 mm-40 -81.47 -19.66 41.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.271 -0.422 . . . . 1.75 111.352 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 38.0 mt-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.592 -0.718 . . . . 2.99 110.576 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 12' ' ' LYS . 12.6 pt-20 . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.037 -0.357 . . . . 3.26 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 91.1 m-20 -84.05 -22.69 31.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.441 -0.345 . . . . 1.94 110.8 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.05 -53.66 55.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.873 0.368 . . . . 2.19 111.508 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' HB2' ' OE2' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -67.98 -34.27 76.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.0 0.428 . . . . 2.83 110.302 -178.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.755 ' HB3' HD23 ' A' ' 43' ' ' LEU . 18.4 tt0 -65.53 -34.82 79.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.041 -0.527 . . . . 2.26 110.356 176.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -58.4 -35.66 72.38 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.937 -0.574 . . . . 0.46 110.382 176.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.3 tm? -63.4 -41.28 98.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.718 -0.674 . . . . 1.98 109.328 177.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' HD23 ' A' ' 20' ' ' LEU . 33.8 ttpt -67.38 -42.58 83.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 2.88 110.33 178.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 24.0 mm-40 -61.14 -37.59 83.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.407 -0.36 . . . . 0.54 110.917 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 32.7 ttpt -63.46 -40.59 97.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.916 0.389 . . . . 0.8 110.122 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 64.4 mt-10 -70.19 -44.29 69.0 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.086 -0.507 . . . . 2.32 110.928 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD23 ' HG2' ' A' ' 16' ' ' LYS . 1.9 mm? -60.38 -39.72 88.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.004 0.431 . . . . 0.6 110.717 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.19 -52.9 36.7 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.741 -0.742 . . . . 0.41 111.52 174.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.65 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 16.5 t-20 -56.98 -34.34 68.0 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.267 0.556 . . . . 1.27 111.647 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.42 -46.24 77.18 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.784 -0.643 . . . . 0.93 110.904 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -68.31 -34.28 75.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.668 -0.696 . . . . 0.58 110.013 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 69.1 t80 -55.38 -39.36 70.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.679 -1.146 . . . . 0.68 110.606 175.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 96.7 mttt -70.6 -27.25 63.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.304 -0.862 . . . . 1.62 111.786 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -101.13 24.75 8.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.508 0.194 . . . . 2.31 111.462 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 60.14 16.78 6.28 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.526 0.565 . . . . 2.39 112.526 176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.5 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 7.4 t0 -91.46 64.29 5.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 1.62 107.947 172.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.28 -24.96 67.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.423 -0.808 . . . . 0.71 111.493 -172.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 14.2 m-20 -66.78 -52.64 41.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.995 0.426 . . . . 1.93 109.872 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.5 m -66.11 -33.88 76.79 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.987 -0.552 . . . . 0.57 110.693 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.89 -56.51 20.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.921 -0.582 . . . . 0.39 110.57 176.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.712 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.79 -28.82 70.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.356 -0.838 . . . . 0.81 109.934 -179.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.72 -51.78 66.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.752 -0.658 . . . . 1.41 111.177 179.466 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 96.4 m-70 -72.52 -32.47 66.16 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.863 0.363 . . . . 0.47 110.469 179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.668 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 2.1 m-85 -62.87 -47.69 82.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.097 -0.501 . . . . 0.48 110.777 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -37.36 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.972 0.415 . . . . 1.51 110.289 172.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.2 tptm -61.46 -46.45 90.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.662 -0.699 . . . . 1.25 110.501 179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.86 -34.9 72.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.415 -0.357 . . . . 0.26 110.785 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 61.4 tttm -68.55 -32.09 71.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.093 0.473 . . . . 1.37 110.605 176.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -74.38 -24.01 59.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 2.78 110.424 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.755 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -85.37 -44.41 12.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.708 -0.678 . . . . 0.49 110.498 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 12.7 t70 -142.63 96.29 6.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 1.11 110.72 171.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.78 -17.09 23.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 123.406 2.737 . . . . 0.64 113.02 -177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.9 p -82.22 -17.67 45.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.055 -0.521 . . . . 0.46 111.123 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.636 ' ND2' ' HB ' ' A' ' 49' ' ' THR . 7.6 t30 -80.91 89.94 5.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 2.13 109.461 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.795 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.7 ptm -53.58 -27.9 29.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.034 -0.985 . . . . 1.05 111.638 -176.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.636 ' HB ' ' ND2' ' A' ' 47' ' ' ASN . 23.3 m -55.03 -40.09 69.84 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.088 -0.505 . . . . 0.71 111.435 -178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.661 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.4 m-85 -62.78 -48.34 79.56 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.359 -0.608 . . . . 0.44 109.359 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.6 mt -62.4 -42.08 94.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.891 -1.049 . . . . 0.33 111.362 -176.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.6 p -67.64 -26.62 66.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.04 0.448 . . . . 0.28 110.756 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.609 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 9.2 m120 -83.58 -32.61 25.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.961 -0.563 . . . . 1.59 110.321 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.668 ' HG2' ' HB3' ' A' ' 37' ' ' TYR . 16.4 mt-30 -56.7 -47.96 78.77 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 108.274 -1.01 . . . . 1.34 108.274 169.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.2 -32.62 64.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.109 -1.405 . . . . 0.3 111.643 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.8 84.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.425 -0.352 . . . . 0.3 111.029 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.712 HG11 ' HB2' ' A' ' 34' ' ' LEU . 25.7 t -64.66 -42.13 94.18 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 C-N-CA 120.649 -0.421 . . . . 0.33 110.49 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.643 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 93.4 m-85 -57.79 -32.38 67.48 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.424 -0.353 . . . . 0.38 110.542 177.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.567 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 24.9 t80 -61.76 -42.76 99.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.569 0.7 . . . . 0.56 109.372 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.86 -28.16 44.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.17 -0.923 . . . . 1.42 110.876 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HG3' HG12 ' A' ' 57' ' ' VAL . 3.8 mtmp? -70.88 -25.99 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 1.1 111.042 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.4 -7.63 40.12 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.755 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -84.56 61.77 6.89 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 122.953 0.501 . . . . 1.26 110.791 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.794 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 77.2 m-85 -60.24 -33.47 72.32 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.267 0.469 . . . . 0.43 112.267 -172.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -25.27 63.19 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.535 -0.466 . . . . 2.18 111.246 178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -77.29 -34.57 55.53 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.367 -0.605 . . . . 0.68 109.367 176.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.794 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.9 m -59.97 -37.29 79.2 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.405 -0.961 . . . . 1.29 108.405 176.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.904 ' HG2' HG23 ' A' ' 95' ' ' ILE . 3.9 tmm_? -67.84 -52.12 40.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.97 -1.014 . . . . 3.39 109.752 172.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -51.29 -45.17 62.06 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.132 -0.94 . . . . 2.08 111.812 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.52 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 27.2 mt -79.24 -37.26 38.47 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.585 0.587 . . . . 0.24 112.585 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -65.26 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.37 -0.532 . . . . 1.1 111.524 -177.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' ' 95' ' ' ILE . 3.5 mt-10 -66.12 -31.78 72.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.726 0.298 . . . . 2.09 110.58 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.2 tpmt? -65.55 -49.25 69.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 1.23 109.784 173.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.42 -40.0 85.27 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 115.514 -0.766 . . . . 0.19 110.67 177.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.795 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.1 mt -65.03 -42.13 93.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.469 -0.332 . . . . 0.23 110.717 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.2 -40.79 86.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.283 0.563 . . . . 2.35 109.626 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 38.1 t -68.88 -47.07 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.141 -0.936 . . . . 0.25 111.387 177.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -67.24 -47.94 61.44 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.275 -0.488 . . . . 0.27 112.554 -175.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -66.89 -20.22 65.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.229 0.538 . . . . 2.63 110.058 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.13 -51.68 9.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.648 . . . . 1.96 110.707 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -84.8 7.77 19.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.372 -0.831 . . . . 1.35 111.59 -173.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 64.32 41.86 5.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.77 -0.65 . . . . 4.67 110.69 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 7.2 tp10 -87.96 167.29 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.228 -0.896 . . . . 1.6 110.522 -177.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -50.24 115.4 1.42 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.314 0.578 . . . . 0.82 112.544 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' HA ' HD12 ' A' ' 88' ' ' ILE . 54.3 p90 -71.42 -22.29 61.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.585 -0.734 . . . . 0.44 110.971 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.403 ' HB3' ' ND1' ' A' ' 119' ' ' HIS . 78.4 mtt180 -72.55 -35.9 68.13 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.935 -0.765 . . . . 3.04 108.935 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -64.37 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.583 -1.189 . . . . 1.46 109.487 171.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 48' ' ' MET . 25.9 mt -60.39 -43.01 93.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.428 -0.805 . . . . 0.25 110.976 172.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.739 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.1 -37.78 88.58 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.624 177.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -31.08 69.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 1.26 110.299 175.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.35 -45.39 87.98 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.633 -0.506 . . . . 0.23 109.633 172.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.2 m-85 -61.14 -42.69 98.99 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.24 111.31 176.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.45 77.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.109 -0.496 . . . . 0.26 110.834 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.6 ttm105 -73.32 -35.25 66.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.505 -0.316 . . . . 1.5 110.356 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.904 HG23 ' HG2' ' A' ' 68' ' ' ARG . 66.2 mt -62.86 -52.35 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.167 0.508 . . . . 0.28 109.69 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.511 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.39 -34.54 81.22 Favored Glycine 0 N--CA 1.438 -1.231 0 C-N-CA 120.454 -0.879 . . . . 0.23 111.197 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.24 -38.48 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.865 -0.168 . . . . 1.64 111.288 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 p -63.0 -38.58 91.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.94 110.03 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' OH ' ' HG3' ' A' ' 68' ' ' ARG . 49.3 m-85 -70.91 -42.9 69.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.43 110.375 174.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -55.55 -38.23 69.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.443 -0.798 . . . . 0.43 110.421 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.6 tppt? -80.7 -21.39 41.28 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.255 -0.884 . . . . 0.74 111.822 -179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.495 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 4.0 pt-20 -102.14 2.86 37.88 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.951 -0.3 . . . . 0.57 111.431 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 41.5 mt-10 78.97 14.35 1.15 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.68 0.792 . . . . 1.47 112.545 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.8 mttp -92.53 59.66 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.443 0.64 . . . . 1.89 109.92 173.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.573 ' HB2' HD13 ' A' ' 135' ' ' LEU . 87.1 m-85 -62.96 -26.48 68.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.408 -0.814 . . . . 0.46 112.177 -174.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -59.24 -50.36 74.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.624 -0.51 . . . . 1.57 109.624 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.22 -33.66 65.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.577 -0.738 . . . . 0.67 110.762 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.511 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -52.14 -57.02 10.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.22 110.802 178.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.625 HG23 ' SG ' ' A' ' 128' ' ' CYS . 17.6 mt -63.14 -33.95 63.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.51 111.562 -177.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -55.85 -53.78 52.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.863 0.363 . . . . 0.44 110.331 178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 97.0 m-85 -77.45 -22.56 51.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.959 -0.564 . . . . 0.32 111.07 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.9 m-30 -61.82 -52.65 63.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.791 -0.448 . . . . 0.32 109.791 171.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -62.39 -23.77 67.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.923 0.392 . . . . 1.77 110.716 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 17.0 mmtt -71.58 -32.1 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 1.25 110.51 173.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.666 ' HB3' HG11 ' A' ' 124' ' ' VAL . 32.4 t -70.68 -43.92 68.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.957 -0.757 . . . . 1.04 108.957 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.498 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.5 mm? -58.12 -28.63 64.83 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.014 -0.539 . . . . 0.38 109.862 173.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.21 -49.23 65.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.328 -0.851 . . . . 0.41 111.278 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -83.69 -49.4 9.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.011 0.375 . . . . 0.53 112.011 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.739 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 5.7 t-160 -145.17 97.4 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.273 0.559 . . . . 0.5 109.997 -176.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.498 ' HG3' HD12 ' A' ' 116' ' ' LEU . 34.4 ttp180 -66.79 118.89 10.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.393 -0.821 . . . . 2.87 110.916 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.7 p -140.17 136.31 16.91 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.55 -0.75 . . . . 0.62 110.849 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.97 -31.81 16.6 Favored 'Trans proline' 0 C--O 1.223 -0.229 0 C-N-CA 124.977 3.785 . . . . 0.76 114.005 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -69.59 -47.83 62.19 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.804 0.298 . . . . 2.2 111.804 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 115' ' ' SER . 4.5 t -70.98 -31.95 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.086 -0.645 . . . . 0.35 109.773 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.52 -45.41 87.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.002 -0.74 . . . . 0.61 109.002 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -55.57 -50.25 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.696 -1.138 . . . . 2.04 110.471 172.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.8 mptt -61.25 -40.97 96.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.766 -0.652 . . . . 1.48 111.707 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.625 ' SG ' HG23 ' A' ' 109' ' ' ILE . 40.5 t -63.02 -50.37 70.95 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.845 -0.616 . . . . 0.91 110.451 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.63 -35.4 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.38 110.342 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.503 HE21 ' HA ' ' A' ' 130' ' ' GLN . 0.1 OUTLIER -59.62 -49.39 77.94 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.719 -0.673 . . . . 1.72 110.416 178.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.12 92.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.108 -0.496 . . . . 0.29 112.267 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.6 pt-20 -68.97 -42.77 76.14 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.358 -0.537 . . . . 2.04 111.167 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -65.88 -34.79 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.53 -0.468 . . . . 1.9 110.111 177.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 48.4 mt -65.35 -52.5 51.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.511 . . . . 0.48 110.722 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 105' ' ' TYR . 21.2 tp -59.98 -37.26 79.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.663 -0.698 . . . . 1.37 110.764 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 136' ' ' LYS . 72.3 mmtt -73.61 -15.17 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.603 -0.271 . . . . 3.36 111.566 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 133' ' ' LYS . 69.5 mm-40 -79.95 -23.99 41.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.249 0.547 . . . . 2.28 109.902 171.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.527 ' NE2' HD12 ' A' ' 135' ' ' LEU . 19.7 mt-30 -81.44 -50.5 9.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 1.75 111.041 -175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 5.3 pt-20 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.337 -0.839 . . . . 2.99 111.224 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.198 0.523 . . . . 3.26 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 95.1 m-20 -63.0 -20.99 65.83 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.363 -0.835 . . . . 1.94 112.708 -174.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -53.87 -44.83 70.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.797 0.332 . . . . 2.19 111.2 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.49 -42.69 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 2.83 110.597 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.667 ' HB3' HD23 ' A' ' 43' ' ' LEU . 7.6 tt0 -69.38 -29.22 66.94 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.989 -0.551 . . . . 2.26 110.241 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.0 -33.5 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.46 110.282 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.2 mt -64.59 -41.07 96.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.052 -0.351 . . . . 1.98 110.052 174.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -64.9 -43.47 92.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 2.88 110.017 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 54.3 mm-40 -63.67 -38.48 91.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.54 110.7 176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.3 ttpp -61.62 -40.29 94.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 0.8 110.136 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -36.22 64.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.262 -0.426 . . . . 2.32 111.506 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 1.3 mm? -65.85 -39.09 90.42 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.028 0.442 . . . . 0.6 110.167 176.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -69.32 -48.56 44.65 Favored Glycine 0 C--O 1.222 -0.622 0 N-CA-C 111.357 -0.697 . . . . 0.41 111.357 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.0 t-20 -57.79 -37.62 74.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.17 0.509 . . . . 1.27 111.038 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.56 -49.59 74.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.736 -0.666 . . . . 0.93 110.487 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.52 -32.95 74.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.648 -0.706 . . . . 0.58 110.092 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 62.2 t80 -58.8 -41.5 86.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.252 -0.886 . . . . 0.68 110.082 176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.62 -20.81 58.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.428 -0.806 . . . . 1.62 110.938 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -94.19 4.79 53.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.929 -0.578 . . . . 2.31 110.382 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp 64.2 17.31 10.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.598 -0.728 . . . . 2.39 111.71 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 1.0 OUTLIER -89.6 64.0 6.45 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.774 -0.824 . . . . 1.62 108.774 172.492 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 81.8 m-85 -64.53 -34.06 77.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.71 112.799 -169.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 7.0 m-20 -64.1 -43.94 93.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.213 0.53 . . . . 1.93 109.624 176.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 75.8 m -69.97 -35.72 74.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.509 -0.769 . . . . 0.57 110.504 177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.74 -54.47 45.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.39 110.281 176.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.834 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -62.69 -30.54 71.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.273 -0.876 . . . . 0.81 110.074 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 3.4 tppt? -60.22 -48.27 82.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.685 -0.689 . . . . 1.41 110.673 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.1 m-70 -79.05 -36.01 41.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.101 -0.24 . . . . 0.47 110.804 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.579 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 4.2 m-85 -59.3 -46.67 87.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.15 0.5 . . . . 0.48 110.322 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 22.0 t70 -67.94 -32.93 73.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.714 -0.675 . . . . 1.51 110.139 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HE2' HD11 ' A' ' 43' ' ' LEU . 24.2 tptm -61.34 -44.1 97.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.215 -0.902 . . . . 1.25 109.979 173.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.57 77.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.541 . . . . 0.26 110.586 177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB2' ' OE1' ' A' ' 54' ' ' GLN . 62.2 tttm -69.54 -28.57 66.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 1.37 110.412 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.77 -41.29 60.33 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.838 -0.801 . . . . 2.78 108.838 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.2 mp -65.92 -50.32 64.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.535 -0.757 . . . . 0.49 110.718 177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 47' ' ' ASN . 34.4 t0 -139.88 99.96 7.41 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 121.441 0.639 . . . . 1.11 111.835 174.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -78.54 -14.33 14.42 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.375 2.717 . . . . 0.64 113.186 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 82.3 p -85.89 -9.86 56.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.368 0.604 . . . . 0.46 110.633 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.598 HD21 ' HB ' ' A' ' 49' ' ' THR . 8.2 t30 -88.44 90.58 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.135 -0.691 . . . . 2.13 109.135 174.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.4 ptm -55.01 -25.8 32.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.166 -0.924 . . . . 1.05 111.762 -174.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.598 ' HB ' HD21 ' A' ' 47' ' ' ASN . 42.2 m -60.95 -30.4 70.21 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.71 111.934 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.4 m-85 -70.36 -43.11 70.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.517 0.675 . . . . 0.44 109.234 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 63.4 mt -66.34 -41.69 89.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.517 -1.22 . . . . 0.33 111.352 -175.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.9 p -69.11 -28.44 66.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.981 0.42 . . . . 0.28 110.992 -179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.579 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 17.5 m-80 -81.7 -32.25 31.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.196 -0.457 . . . . 1.59 110.41 177.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.629 ' OE1' ' HA ' ' A' ' 51' ' ' ILE . 46.5 mt-30 -55.76 -50.44 70.4 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.837 0.827 . . . . 1.34 109.404 168.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.64 -39.16 70.49 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.125 -1.398 . . . . 0.3 111.014 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.14 -28.61 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.798 -0.637 . . . . 0.3 111.17 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 34' ' ' LEU . 46.8 t -71.08 -47.82 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.518 -0.31 . . . . 0.33 110.217 176.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.614 ' CZ ' ' HE2' ' A' ' 66' ' ' LYS . 79.0 m-85 -55.76 -36.78 67.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.38 110.367 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -54.6 -44.34 72.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.535 -0.757 . . . . 0.56 110.523 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 12.5 mm-40 -78.95 -30.82 44.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 1.42 111.307 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -66.41 -21.52 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.85 -0.614 . . . . 1.1 110.876 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.7 -2.58 49.08 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.007 -0.837 . . . . 0.36 111.007 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -93.86 67.34 3.76 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.975 -0.612 . . . . 1.26 110.137 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -65.09 -31.42 72.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.43 111.209 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.55 -32.0 70.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.432 -0.349 . . . . 2.18 110.798 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.614 ' HE2' ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -73.82 -35.14 64.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.71 -0.478 . . . . 0.68 109.71 176.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.537 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 43.5 t -58.21 -40.87 82.74 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.348 -0.612 . . . . 1.29 109.348 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.5 tmt_? -66.83 -47.2 72.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 3.39 110.349 173.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -50.74 -52.0 44.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.719 -0.673 . . . . 2.08 111.032 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 26.7 mt -73.41 -43.29 60.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.632 -0.713 . . . . 0.24 112.41 -175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.1 m -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.445 -0.502 . . . . 1.1 111.373 -177.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.98 -34.65 78.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 2.09 110.78 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.605 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -65.46 -47.87 74.65 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.535 -0.543 . . . . 1.23 109.535 175.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.68 -42.14 78.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.52 -0.764 . . . . 0.19 110.3 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.678 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 50.2 mt -63.52 -43.37 98.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.958 -0.565 . . . . 0.23 110.904 177.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.72 -36.17 78.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.408 0.623 . . . . 2.35 109.829 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.8 t -72.75 -43.99 60.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.19 -0.913 . . . . 0.25 111.491 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.09 -44.38 45.13 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.996 -0.621 . . . . 0.27 112.416 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -65.8 -23.3 66.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.718 0.771 . . . . 2.63 109.571 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.19 -53.22 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.001 -1.0 . . . . 1.96 110.302 174.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.79 28.89 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.453 -0.794 . . . . 1.35 111.25 -173.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' A' ' 82' ' ' ARG . 1.2 ppt_? 50.53 37.12 15.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.745 0.818 . . . . 4.67 112.803 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.4 tp10 -83.0 166.39 18.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.514 -0.766 . . . . 1.6 110.261 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 29.4 t70 -50.14 110.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.56 -0.745 . . . . 0.82 112.21 -178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 23.1 p90 -68.67 -20.75 64.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.912 -0.585 . . . . 0.44 110.82 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 86.3 mtm180 -65.5 -41.29 93.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.09 -0.707 . . . . 3.04 109.09 176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' NE2' ' HA ' ' A' ' 49' ' ' THR . 0.0 OUTLIER -62.14 -41.78 98.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.627 -1.169 . . . . 1.46 109.532 172.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.498 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.5 mt -57.69 -41.05 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.58 -0.737 . . . . 0.25 111.49 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.704 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.42 -36.05 82.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.381 -0.372 . . . . 0.24 110.406 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.0 mmmt -67.68 -34.89 77.82 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.442 -0.577 . . . . 1.26 109.442 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.68 -48.0 81.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.23 109.959 173.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.1 m-85 -58.87 -45.17 90.8 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.24 111.241 176.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.33 86.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.907 -0.588 . . . . 0.26 110.677 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.537 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 34.1 ttm180 -74.25 -35.56 63.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.042 -0.526 . . . . 1.5 110.303 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.8 mt -59.59 -53.22 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.683 -0.488 . . . . 0.28 109.683 172.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.85 -35.49 91.4 Favored Glycine 0 N--CA 1.441 -1.015 0 CA-C-N 115.475 -0.784 . . . . 0.23 111.78 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.596 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 63.0 t30 -66.73 -33.23 75.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.848 0.356 . . . . 1.64 110.649 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 m -62.81 -49.91 73.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.94 109.964 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.9 m-85 -63.06 -36.23 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.43 110.328 176.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -61.07 -31.24 70.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.148 -0.933 . . . . 0.43 110.734 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -83.15 -35.47 25.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.851 0.358 . . . . 0.74 110.849 177.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -88.66 0.29 56.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.57 111.431 -171.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 47.5 mt-10 76.98 23.84 0.93 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.664 0.786 . . . . 1.47 112.259 177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 26.0 mtpp -100.68 56.66 0.89 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.718 . . . . 1.89 109.183 172.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.553 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 76.9 m-85 -61.19 -31.47 71.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.985 -1.007 . . . . 0.46 112.434 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -56.64 -43.45 80.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.437 0.637 . . . . 1.57 109.714 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.34 -35.53 61.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.269 -0.878 . . . . 0.67 110.223 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.66 -56.85 14.78 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.613 -0.721 . . . . 0.22 110.805 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 112' ' ' TYR . 17.3 mt -62.6 -34.42 65.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 0.51 111.274 -177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -55.62 -55.07 36.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.44 110.49 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 96.3 m-85 -77.19 -20.88 54.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.068 -0.515 . . . . 0.32 110.989 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 1.003 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m-30 -62.41 -51.0 69.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.773 -0.454 . . . . 0.32 109.773 170.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.426 ' HA ' HD23 ' A' ' 116' ' ' LEU . 14.4 m120 -62.23 -28.66 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.77 110.51 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 18.6 mmtt -69.68 -30.46 68.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.779 -0.646 . . . . 1.25 110.468 174.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.581 ' HB3' HG11 ' A' ' 124' ' ' VAL . 43.1 t -72.75 -42.65 63.83 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.106 -0.702 . . . . 1.04 109.106 174.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.451 HD21 ' SG ' ' A' ' 128' ' ' CYS . 1.2 mm? -56.93 -32.01 65.53 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 121.338 0.59 . . . . 0.38 109.523 171.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -64.36 -44.95 89.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.06 -0.973 . . . . 0.41 111.69 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HG3' ' CG2' ' A' ' 88' ' ' ILE . 27.4 mm-40 -89.52 -50.37 6.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.968 0.359 . . . . 0.53 111.968 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.704 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.0 t-160 -143.76 99.09 3.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.396 0.617 . . . . 0.5 109.83 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -61.37 123.66 18.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.783 -1.099 . . . . 2.87 110.72 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.5 p -137.71 147.37 56.82 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.65 -0.705 . . . . 0.62 110.277 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.9 Cg_exo -71.41 -25.94 20.96 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.033 2.489 . . . . 0.76 111.022 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.49 -52.92 40.9 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.104 -0.953 . . . . 2.2 111.045 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.747 HG12 ' SG ' ' A' ' 128' ' ' CYS . 49.1 t -65.33 -47.65 86.29 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.048 0 C-N-CA 119.954 -0.699 . . . . 0.35 109.185 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.46 -46.42 66.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.206 0.527 . . . . 0.61 110.179 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -56.65 -38.61 72.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.146 -0.934 . . . . 2.04 110.853 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -73.69 -40.67 63.48 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.035 -0.984 . . . . 1.48 111.862 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 1.003 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 16.8 m -62.11 -45.1 94.99 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.421 -0.585 . . . . 0.91 109.421 -177.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.596 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 24.3 mt-30 -70.55 -22.88 62.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.279 -0.873 . . . . 1.38 110.661 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.626 ' OE1' ' HD2' ' A' ' 133' ' ' LYS . 7.4 tp60 -76.94 -45.51 27.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.99 0.424 . . . . 1.72 110.49 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.5 -34.78 79.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.406 -0.361 . . . . 0.29 111.687 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -74.68 -32.39 62.19 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.838 -0.345 . . . . 2.04 111.739 -179.146 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.626 ' HD2' ' OE1' ' A' ' 130' ' ' GLN . 5.3 ptpp? -76.48 -35.78 58.23 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.055 -0.403 . . . . 1.9 110.215 175.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 57.4 mt -59.85 -41.8 86.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.48 110.065 172.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.553 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -69.91 -18.89 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.185 -0.461 . . . . 1.37 111.603 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 62.1 mttp -72.61 -30.03 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.511 . . . . 3.36 109.685 173.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -81.51 -41.11 22.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.657 -0.701 . . . . 2.28 110.227 177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 138' ' ' GLN . 17.4 mm-40 -80.02 -63.8 1.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.73 -0.668 . . . . 1.75 111.606 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.249 1.079 0 O-C-N 123.911 0.757 . . . . 2.99 110.904 -177.663 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 110.323 -0.251 . . . . 3.26 110.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -85.36 -22.36 28.47 Favored 'General case' 0 C--O 1.22 -0.466 0 O-C-N 122.312 -0.242 . . . . 1.94 111.038 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.67 -49.36 77.85 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.32 0.489 . . . . 2.19 112.32 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.27 -37.84 88.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 2.83 110.679 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.654 ' HB3' HD23 ' A' ' 43' ' ' LEU . 27.6 tt0 -67.15 -31.51 71.99 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 116.239 -0.437 . . . . 2.26 110.07 176.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.27 -35.76 81.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.46 110.314 177.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 51.9 mt -63.26 -43.42 98.02 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.886 -0.413 . . . . 1.98 109.886 174.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -62.49 -43.26 99.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.616 -0.72 . . . . 2.88 110.374 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 55.6 mm-40 -63.94 -38.23 90.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.539 -0.3 . . . . 0.54 110.868 176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 20.7 ttpp -65.51 -38.55 90.02 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.867 -0.333 . . . . 0.8 110.394 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 53.3 mt-10 -66.93 -42.29 85.56 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-O 120.638 0.256 . . . . 2.32 110.346 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 3.1 mm? -62.09 -41.78 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.685 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -64.65 -50.13 60.54 Favored Glycine 0 C--O 1.223 -0.567 0 CA-C-N 115.788 -0.642 . . . . 0.41 111.687 174.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 21.8 t-20 -64.82 -35.38 80.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.573 0.225 . . . . 1.27 111.335 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.6 ' O ' ' HD3' ' A' ' 27' ' ' LYS . 10.2 t70 -60.14 -49.89 75.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.876 -0.416 . . . . 0.93 109.876 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.21 89.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.909 -0.587 . . . . 0.58 109.791 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 83.3 t80 -56.21 -40.84 74.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.855 -1.066 . . . . 0.68 110.706 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 26' ' ' LYS . 36.1 ttmt -68.17 -24.79 65.01 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.444 -1.253 . . . . 1.62 110.347 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -97.9 11.55 37.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.611 -0.722 . . . . 2.31 109.596 175.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 55.91 27.72 11.5 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.15 -0.932 . . . . 2.39 112.599 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -85.44 74.61 10.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.958 -1.127 . . . . 1.62 107.958 170.304 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -58.89 -48.55 81.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.023 -0.99 . . . . 0.71 113.038 -165.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 3.9 m-20 -64.37 -38.86 92.54 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.453 -0.499 . . . . 1.93 111.095 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.9 m -65.9 -41.47 91.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.074 0.464 . . . . 0.57 110.604 176.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -59.95 -57.12 14.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.39 110.344 176.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.12 -24.47 66.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.815 -1.084 . . . . 0.81 110.455 -178.419 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -66.32 -49.02 68.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.541 -0.754 . . . . 1.41 110.716 179.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -78.96 -31.26 44.92 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 120.864 -0.334 . . . . 0.47 110.312 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.6 m-85 -59.88 -38.77 83.15 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.376 -0.601 . . . . 0.48 109.376 172.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 12.6 t70 -66.63 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.147 -0.933 . . . . 1.51 110.136 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' HE3' HD11 ' A' ' 43' ' ' LEU . 47.5 tptt -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.219 -0.901 . . . . 1.25 110.223 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.03 98.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.975 0.416 . . . . 0.26 110.412 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -62.02 -31.2 71.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 1.37 110.693 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.05 -44.95 44.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.727 -0.67 . . . . 2.78 110.053 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.654 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.8 mp -62.8 -50.57 70.5 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.566 -0.743 . . . . 0.49 110.929 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -140.86 99.09 6.82 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 120.08 -0.648 . . . . 1.11 111.741 173.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' O ' HG11 ' A' ' 77' ' ' VAL . 64.2 Cg_endo -70.71 -24.52 25.24 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.757 2.305 . . . . 0.64 112.466 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.9 p -73.38 -10.91 60.24 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.46 111.683 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 50' ' ' TYR . 6.7 t30 -87.48 93.98 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.03 -0.73 . . . . 2.13 109.03 171.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.9 ptm -56.67 -27.93 59.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.535 -0.757 . . . . 1.05 111.999 -171.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 ' HB ' HD21 ' A' ' 47' ' ' ASN . 32.8 m -61.12 -29.4 69.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.979 -177.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 17.9 m-85 -69.34 -33.59 73.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.743 0.782 . . . . 0.44 109.373 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.2 mt -80.35 -38.71 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 CA-C-N 114.621 -1.172 . . . . 0.33 110.886 -175.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.6 p -69.25 -37.17 77.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.28 110.29 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.9 m-20 -67.87 -33.1 74.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 1.59 110.265 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 5.5 mt-30 -59.07 -52.76 64.37 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.482 0.658 . . . . 1.34 110.005 170.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.76 -31.1 64.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.629 -1.169 . . . . 0.3 111.56 -178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -47.3 86.05 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.413 -0.358 . . . . 0.3 110.68 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.793 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 43.5 t -64.36 -39.46 85.63 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 C-N-CA 120.571 -0.452 . . . . 0.33 111.116 -176.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 72.0 m-85 -57.39 -29.46 64.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.38 110.16 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -69.47 -31.6 69.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.829 -0.623 . . . . 0.56 109.772 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.793 ' OE1' ' HA ' ' A' ' 57' ' ' VAL . 1.7 mp0 -78.65 -35.57 45.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.493 0.663 . . . . 1.42 109.844 172.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.4 mtmt -69.9 -20.88 63.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.245 -0.889 . . . . 1.1 111.639 -176.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.05 1.25 61.39 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.945 -0.645 . . . . 0.36 111.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.68 62.49 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.393 0.277 . . . . 1.26 110.786 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.754 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 71.4 m-85 -59.13 -30.68 68.32 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 112.179 0.437 . . . . 0.43 112.179 -173.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -59.03 -35.03 72.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.953 0.406 . . . . 2.18 110.771 176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.0 tptt -83.44 -36.06 24.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.267 -0.424 . . . . 0.68 111.153 -177.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.754 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -58.72 -44.74 90.48 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.977 -0.749 . . . . 1.29 108.977 177.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 9.9 ttm180 -59.03 -51.32 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.886 -1.052 . . . . 3.39 110.124 172.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -51.23 -53.43 35.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.013 -0.994 . . . . 2.08 111.809 -177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 65.5 mt -74.21 -30.96 62.43 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.772 0.656 . . . . 0.24 112.772 -172.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.566 ' O ' HG13 ' A' ' 75' ' ' ILE . 93.3 m -66.71 -48.7 68.41 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.189 -0.604 . . . . 1.1 111.446 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 3.2 pt-20 -69.97 -28.68 65.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.614 -0.434 . . . . 2.09 110.718 178.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -64.71 -49.67 69.98 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.476 -0.565 . . . . 1.23 109.476 172.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.02 -39.41 85.77 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.19 110.421 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.707 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 47.7 mt -64.87 -41.29 91.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 121.08 -0.248 . . . . 0.23 110.868 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.0 -44.68 94.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.346 0.593 . . . . 2.35 109.596 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.439 HG11 ' O ' ' A' ' 45' ' ' PRO . 54.6 t -64.68 -45.58 94.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.869 -1.06 . . . . 0.25 111.29 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 83' ' ' GLU . . . -68.61 -39.34 86.61 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.095 -0.502 . . . . 0.27 112.105 -177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -64.89 -26.39 68.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.632 0.729 . . . . 2.63 109.157 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 35.2 tt0 -77.92 -48.57 16.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.779 -1.101 . . . . 1.96 110.981 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -88.68 3.92 49.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.483 -0.78 . . . . 1.35 112.036 -174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 64.71 48.14 2.6 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.409 0.623 . . . . 4.67 110.797 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 78' ' ' GLY . 6.7 mm-40 -80.34 168.59 18.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.168 -0.924 . . . . 1.6 111.761 -178.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 31.3 t70 -57.29 116.14 3.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.624 -0.716 . . . . 0.82 111.066 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.6 p90 -73.02 -20.94 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.44 110.96 -176.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 53.9 mtm180 -67.04 -44.83 79.2 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.622 -0.881 . . . . 3.04 108.622 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -61.3 -35.68 77.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.018 -1.447 . . . . 1.46 110.018 172.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.575 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.6 mt -64.11 -40.82 90.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.605 -0.725 . . . . 0.25 111.316 175.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.67 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.34 -38.24 88.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.114 0.483 . . . . 0.24 110.228 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.5 mmmm -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.16 -0.473 . . . . 1.26 109.825 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.597 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.82 -48.37 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.23 109.947 173.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 30.4 m-85 -56.43 -45.69 80.64 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.272 -0.422 . . . . 0.24 111.147 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.03 -35.61 80.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.719 -0.673 . . . . 0.26 110.878 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -77.01 -32.2 56.98 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.989 -0.284 . . . . 1.5 110.503 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 91' ' ' ALA . 86.0 mt -58.57 -53.67 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 108.987 -0.746 . . . . 0.28 108.987 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.37 -34.18 89.22 Favored Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.204 -0.907 . . . . 0.23 112.123 178.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 47.4 t30 -68.96 -34.37 75.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.812 0.339 . . . . 1.64 110.446 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.46 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 50.6 m -64.49 -48.25 75.89 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 45.7 m-85 -59.11 -41.71 88.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.775 -0.648 . . . . 0.43 110.239 174.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -56.79 -40.26 75.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.1 -0.955 . . . . 0.43 110.811 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.2 mmmt -73.79 -35.94 64.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.288 -0.415 . . . . 0.74 110.974 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -85.81 -2.41 58.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.151 -0.477 . . . . 0.57 110.631 -174.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 76.13 21.93 1.44 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.946 -1.025 . . . . 1.47 112.178 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 48.1 mttp -93.49 62.42 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 1.89 109.512 170.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.507 ' HB2' HD13 ' A' ' 135' ' ' LEU . 76.7 m-85 -65.63 -26.91 68.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.821 -0.627 . . . . 0.46 112.002 -173.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.1 -50.5 72.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 1.57 109.612 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.65 -34.41 69.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.259 -0.882 . . . . 0.67 110.445 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.534 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.47 -57.79 9.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.868 -0.605 . . . . 0.22 111.126 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.47 HG23 ' SG ' ' A' ' 128' ' ' CYS . 20.2 mt -62.31 -34.67 65.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.695 -0.684 . . . . 0.51 111.733 -176.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -55.31 -56.16 23.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.992 0.425 . . . . 0.44 110.29 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.8 m-85 -77.03 -20.48 55.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.985 -0.552 . . . . 0.32 111.158 -176.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -61.31 -55.26 33.78 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.885 -0.413 . . . . 0.32 109.885 171.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -61.17 -27.39 68.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.246 -0.434 . . . . 1.77 110.443 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.548 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 20.8 mmtt -67.36 -31.8 72.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 1.25 110.883 174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.659 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.7 t -71.83 -45.63 60.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 1.04 109.285 174.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.537 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.9 mm? -55.34 -34.0 63.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.458 0.647 . . . . 0.38 109.477 172.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -62.22 -50.08 73.2 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.822 -1.081 . . . . 0.41 111.279 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -80.93 -51.36 8.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.878 0.37 . . . . 0.53 111.763 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.67 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.3 97.92 3.17 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.318 0.58 . . . . 0.5 109.607 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.537 ' HG3' HD12 ' A' ' 116' ' ' LEU . 41.0 ttm180 -67.47 106.36 2.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.188 -0.915 . . . . 2.87 110.868 -174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.6 144.64 54.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.492 -0.776 . . . . 0.62 110.914 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -63.47 -24.36 70.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.553 2.836 . . . . 0.76 114.127 -169.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.16 -28.24 54.06 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.133 0.42 . . . . 2.2 112.133 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.2 t -84.44 -31.22 7.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 C-N-CA 119.253 -0.979 . . . . 0.35 109.265 175.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.42 -47.27 84.83 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.405 -0.961 . . . . 0.61 108.405 172.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -50.6 -54.8 19.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.617 -1.174 . . . . 2.04 110.627 171.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -41.77 98.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.039 -0.982 . . . . 1.48 112.041 -178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 43.3 t -62.41 -46.77 87.07 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.0 -0.546 . . . . 0.91 110.107 -177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.82 -35.23 80.09 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.983 -0.553 . . . . 1.38 110.575 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 130' ' ' GLN . 6.7 tp60 -64.9 -49.76 69.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 1.72 110.642 -178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.99 -36.02 82.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.364 0.505 . . . . 0.29 112.364 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.631 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.2 pt-20 -71.89 -33.56 68.44 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.553 -0.459 . . . . 2.04 111.729 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -35.71 54.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.618 -0.433 . . . . 1.9 109.947 176.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.4 mt -63.01 -51.87 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.48 110.626 175.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 105' ' ' TYR . 48.2 tp -59.64 -36.16 75.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.757 -0.656 . . . . 1.37 110.848 -177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.53 -29.85 70.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 3.36 110.777 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -85.88 -13.79 46.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.253 0.549 . . . . 2.28 110.97 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -88.9 -11.36 44.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 1.75 111.829 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.102 -0.951 . . . . 2.99 110.665 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 121.399 0.619 . . . . 3.26 110.52 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -58.1 -22.29 50.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 114.678 -1.146 . . . . 1.94 113.372 -172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -64.87 -35.5 81.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.018 0.437 . . . . 2.19 110.835 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.44 -38.86 74.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.287 0.565 . . . . 2.83 109.901 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 43' ' ' LEU . 41.4 tt0 -74.85 -28.92 60.87 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-N 115.783 -0.644 . . . . 2.26 110.425 177.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.635 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.18 -37.72 86.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.115 0.484 . . . . 0.46 110.071 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.98 -42.03 99.73 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.841 -0.8 . . . . 1.98 108.841 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' HD23 ' A' ' 20' ' ' LEU . 78.2 tttt -61.59 -48.11 82.42 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-N 115.769 -0.65 . . . . 2.88 110.519 176.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 59.2 mm-40 -60.43 -37.13 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.54 111.193 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -64.51 -42.32 95.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.984 0.421 . . . . 0.8 110.063 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -70.27 -42.11 72.55 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.028 -0.533 . . . . 2.32 111.519 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.2 mm? -60.11 -39.72 87.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.309 0.576 . . . . 0.6 110.026 176.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.609 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.5 -54.07 21.45 Favored Glycine 0 N--CA 1.438 -1.199 0 CA-C-N 115.333 -0.849 . . . . 0.41 111.446 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.631 ' HB2' ' OH ' ' A' ' 37' ' ' TYR . 64.1 t30 -54.91 -34.66 63.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.192 0.52 . . . . 1.27 111.517 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -66.77 -43.37 84.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.187 0.517 . . . . 0.93 110.505 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.82 -31.24 67.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.55 -0.75 . . . . 0.58 109.886 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.9 t80 -58.79 -45.85 88.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.973 -1.012 . . . . 0.68 109.831 176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.7 mttt -69.18 -18.49 63.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.105 -0.952 . . . . 1.62 110.955 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' A' ' 27' ' ' LYS . 3.4 ttmp? -103.35 12.94 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 2.31 110.837 -174.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 62.2 mttm 62.95 13.82 6.98 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.013 -0.539 . . . . 2.39 112.003 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.31 59.24 4.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.515 -0.92 . . . . 1.62 108.515 173.309 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 88.3 m-85 -61.0 -36.13 78.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.697 -0.683 . . . . 0.71 111.683 -171.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.07 -44.55 92.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.051 0.453 . . . . 1.93 110.287 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 50.9 m -66.97 -38.09 85.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.845 -0.616 . . . . 0.57 110.787 177.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.86 -47.75 76.78 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 115.829 -0.623 . . . . 0.39 110.763 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -66.15 -29.25 69.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.317 0.579 . . . . 0.81 109.541 178.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -53.06 55.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.644 -0.707 . . . . 1.41 109.826 174.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 28.4 m-70 -63.69 -42.8 97.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.211 -0.904 . . . . 0.47 111.697 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.661 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 4.5 m-85 -62.25 -45.23 94.25 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.607 -0.724 . . . . 0.48 111.005 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.667 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -66.11 -32.44 73.89 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.51 110.592 175.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.537 ' O ' HD13 ' A' ' 43' ' ' LEU . 24.4 tptm -62.51 -41.8 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.038 -0.528 . . . . 1.25 109.97 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.56 74.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.127 -0.488 . . . . 0.26 110.55 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -71.09 -33.2 69.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 1.37 110.339 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.46 -23.89 62.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 2.78 110.372 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.5 mp -87.12 -53.98 4.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.01 -0.541 . . . . 0.49 110.341 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -132.45 97.67 17.49 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 120.288 -0.565 . . . . 1.11 111.205 172.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.12 -11.64 23.26 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 123.127 2.551 . . . . 0.64 113.003 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 77.6 p -90.01 -11.91 40.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.12 0.486 . . . . 0.46 111.079 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.574 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.7 t30 -84.9 90.25 7.75 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.078 -0.712 . . . . 2.13 109.078 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.848 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 21.3 ptm -53.82 -29.16 39.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.083 -0.962 . . . . 1.05 111.804 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.574 ' HB ' HD21 ' A' ' 47' ' ' ASN . 20.9 m -57.41 -33.67 68.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.71 111.441 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.69 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 21.9 m-30 -66.19 -50.65 63.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.027 -0.731 . . . . 0.44 109.027 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.5 mt -60.99 -43.69 96.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.835 -1.075 . . . . 0.33 111.671 -177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 60.3 p -65.06 -28.77 69.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.236 0.541 . . . . 0.28 110.946 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.48 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 7.1 m-20 -85.04 -27.65 26.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.843 -0.617 . . . . 1.59 110.779 -178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 10.7 mt-30 -59.35 -46.63 88.1 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 107.717 -1.216 . . . . 1.34 107.717 167.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.79 -42.05 75.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 113.813 -1.54 . . . . 0.3 111.397 -179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.94 -35.92 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.3 111.217 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 34' ' ' LEU . 38.4 t -63.3 -46.05 96.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 N-CA-C 109.93 -0.396 . . . . 0.33 109.93 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 66' ' ' LYS . 59.6 m-85 -55.54 -39.5 70.67 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.921 178.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.498 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 6.8 t80 -57.34 -47.42 81.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.728 -0.471 . . . . 0.56 109.728 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -69.87 -30.65 68.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.635 . . . . 1.42 110.811 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' HG12 ' A' ' 57' ' ' VAL . 40.5 mtmt -69.22 -23.42 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.652 -0.704 . . . . 1.1 111.127 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.18 -6.86 43.22 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.1 -0.8 . . . . 0.36 111.1 -175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 9.0 m-20 -88.22 75.99 8.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.3 0.571 . . . . 1.26 110.102 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -68.52 -37.8 80.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.804 -0.635 . . . . 0.43 111.36 -175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.33 -23.68 64.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.334 -0.394 . . . . 2.18 110.746 -177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 58' ' ' TYR . 2.3 tmtm? -80.18 -36.66 34.66 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.413 -0.358 . . . . 0.68 110.4 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -57.73 -40.68 80.2 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.449 -0.945 . . . . 1.29 108.449 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.763 ' HG2' HG23 ' A' ' 95' ' ' ILE . 5.3 tmm_? -62.0 -54.86 35.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.902 -1.045 . . . . 3.39 110.044 173.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -52.8 -47.98 67.22 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.578 -0.737 . . . . 2.08 112.284 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' HG ' ' CD ' ' A' ' 66' ' ' LYS . 40.2 mt -76.41 -37.33 57.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 112.858 0.688 . . . . 0.24 112.858 -173.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.0 m -64.11 -46.16 85.45 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.676 -0.41 . . . . 1.1 111.828 -175.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 1.9 pt-20 -67.39 -32.68 73.75 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.686 -0.406 . . . . 2.09 110.787 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -62.09 -49.71 74.86 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.518 -0.549 . . . . 1.23 109.518 173.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -58.52 -40.39 82.74 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.589 -0.732 . . . . 0.19 110.579 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.848 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.0 mt -62.27 -43.35 97.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.457 -0.338 . . . . 0.23 110.989 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.15 -39.64 87.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.235 0.54 . . . . 2.35 109.749 176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.96 -44.52 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.235 -0.893 . . . . 0.25 111.452 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.48 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.99 -44.79 65.61 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.146 -0.549 . . . . 0.27 112.171 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 79' ' ' ARG . 19.0 ttt85 -66.06 -22.62 66.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.338 0.589 . . . . 2.63 109.799 178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -77.86 -52.47 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.264 -0.88 . . . . 1.96 110.5 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -87.8 18.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 1.35 111.472 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.0 mtt85 55.17 46.19 24.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.52 0.676 . . . . 4.67 111.154 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.1 tp10 -91.79 166.66 12.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.103 -0.953 . . . . 1.6 111.223 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 9.4 t70 -44.97 110.88 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.11 0.964 . . . . 0.82 111.976 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 22.6 p90 -74.33 -22.89 59.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.928 0.394 . . . . 0.44 111.055 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -68.91 -37.69 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.686 -0.857 . . . . 3.04 108.686 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -65.02 -37.91 89.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.821 -1.081 . . . . 1.46 109.908 172.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.461 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 9.1 mt -58.39 -42.39 83.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.626 -0.715 . . . . 0.25 111.202 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.713 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.53 -35.33 80.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.297 -0.41 . . . . 0.24 110.818 177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -67.76 -34.7 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.431 -0.581 . . . . 1.26 109.431 176.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.95 -46.92 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.664 -0.698 . . . . 0.23 110.041 174.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -56.68 -39.71 74.27 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 116.141 -0.482 . . . . 0.24 110.853 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -68.96 -36.09 77.51 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.765 -0.652 . . . . 0.26 111.194 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -70.78 -33.2 70.51 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.785 -0.366 . . . . 1.5 110.665 175.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.763 HG23 ' HG2' ' A' ' 68' ' ' ARG . 65.6 mt -62.5 -54.85 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.317 -0.623 . . . . 0.28 109.317 173.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.86 -35.12 89.7 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.768 -0.73 . . . . 0.23 112.111 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 5.7 t-20 -71.15 -35.86 71.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.512 0.196 . . . . 1.64 110.922 -177.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.5 p -65.47 -36.9 85.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.809 -0.441 . . . . 0.94 109.809 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 46.8 m-85 -68.19 -47.1 68.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.784 -0.644 . . . . 0.43 110.076 173.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -53.01 -41.76 64.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.035 -0.984 . . . . 0.43 110.293 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 14.5 tppt? -80.23 -14.11 58.68 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.08 -0.964 . . . . 0.74 112.036 -178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.508 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.9 pt-20 -108.8 5.1 24.3 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.869 0.366 . . . . 0.57 111.238 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 77.86 11.85 1.95 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.838 0.855 . . . . 1.47 111.818 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 82.5 mttt -91.81 60.13 3.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.21 0.529 . . . . 1.89 110.062 173.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 135' ' ' LEU . 80.4 m-85 -62.87 -33.27 74.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.703 -0.68 . . . . 0.46 112.379 -174.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.97 -41.97 88.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.34 0.59 . . . . 1.57 109.954 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -80.81 -27.81 36.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.67 110.547 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.32 -56.94 15.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.051 -0.522 . . . . 0.22 110.26 175.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 mt -58.16 -36.69 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.576 -0.738 . . . . 0.51 111.486 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -51.49 -57.03 10.16 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.784 0.326 . . . . 0.44 110.901 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.493 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.7 m-85 -80.31 -20.18 44.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.32 111.352 -176.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 1.009 ' HB3' ' SG ' ' A' ' 128' ' ' CYS . 4.9 m-30 -61.45 -52.26 65.3 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.995 -0.372 . . . . 0.32 109.995 170.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' HD23 ' A' ' 116' ' ' LEU . 18.5 t-20 -60.26 -29.75 68.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.243 0.544 . . . . 1.77 110.43 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 17.7 mmtt -68.84 -29.11 67.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 1.25 110.716 175.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.599 ' HB3' HG11 ' A' ' 124' ' ' VAL . 37.7 t -73.71 -42.54 61.09 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.222 -0.659 . . . . 1.04 109.222 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.478 HD21 ' SG ' ' A' ' 128' ' ' CYS . 1.4 mm? -56.99 -31.17 64.79 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.38 109.754 171.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -63.09 -46.73 86.03 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 114.92 -1.036 . . . . 0.41 111.622 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -90.72 -50.06 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.9 0.333 . . . . 0.53 111.9 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.713 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 4.1 t-160 -144.25 97.95 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.525 0.679 . . . . 0.5 110.162 -175.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -61.99 117.23 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.882 -1.053 . . . . 2.87 111.192 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.421 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.4 p -129.94 138.57 33.39 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.56 -0.745 . . . . 0.62 110.625 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 12.4 Cg_endo -54.03 -33.61 73.92 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 124.199 3.266 . . . . 0.76 112.265 175.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 126' ' ' LYS . 22.4 t70 -63.75 -52.41 60.54 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 116.302 -0.408 . . . . 2.2 111.304 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.813 HG12 ' SG ' ' A' ' 128' ' ' CYS . 46.8 t -65.33 -46.9 89.06 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 N-CA-C 108.679 -0.86 . . . . 0.35 108.679 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.52 -45.49 66.3 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.534 0.521 . . . . 0.61 110.118 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 37.1 ttmt -53.56 -51.46 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.566 -0.743 . . . . 2.04 110.222 172.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -62.65 -39.4 93.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.06 -0.973 . . . . 1.48 112.648 -178.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 1.009 ' SG ' ' HB3' ' A' ' 112' ' ' TYR . 24.0 m -65.66 -43.17 90.2 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 121.081 0.467 . . . . 0.91 109.978 -175.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.607 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 21.0 mt-30 -72.21 -38.53 68.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.545 -0.752 . . . . 1.38 109.841 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 134' ' ' ILE . 6.4 tp-100 -57.75 -53.95 52.36 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.604 -0.726 . . . . 1.72 110.177 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.67 -31.27 72.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.287 -0.415 . . . . 0.29 111.043 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -71.51 -48.0 51.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.202 -0.453 . . . . 2.04 110.828 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.618 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 12.6 ptmm? -64.41 -44.97 89.58 Favored 'General case' 0 C--O 1.224 -0.278 0 N-CA-C 109.876 -0.416 . . . . 1.9 109.876 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 130' ' ' GLN . 63.6 mt -56.58 -44.98 82.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.934 0.397 . . . . 0.48 110.81 178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.639 HD23 ' HB2' ' A' ' 105' ' ' TYR . 2.1 tm? -61.11 -42.99 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.939 -0.573 . . . . 1.37 110.685 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -80.45 -15.09 57.6 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.828 -0.349 . . . . 3.36 111.111 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 43.9 mt-10 -71.72 -27.75 63.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.241 -0.651 . . . . 2.28 109.241 170.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -77.45 -57.4 3.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.291 -0.868 . . . . 1.75 110.797 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.235 -0.888 . . . . 2.99 110.9 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.58 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.186 0.517 . . . . 3.26 110.359 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 15.4 m120 -64.56 -21.46 66.7 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 115.193 -0.912 . . . . 1.94 111.982 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.58 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 54.8 mttm -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.751 0.31 . . . . 2.19 111.271 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -62.69 -46.02 90.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.405 0.621 . . . . 2.83 109.998 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.715 ' HB3' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -63.99 -32.99 74.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.223 -0.899 . . . . 2.26 110.562 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.611 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.94 -37.15 85.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.46 111.334 -179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -62.92 -43.36 99.0 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.938 -0.764 . . . . 1.98 108.938 177.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HD2' ' OE1' ' A' ' 13' ' ' GLN . 13.0 tmtt? -62.41 -42.76 99.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.801 -0.636 . . . . 2.88 110.443 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 50.3 mm-40 -62.87 -40.53 97.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 0.54 110.817 176.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 21.8 ttpp -60.41 -45.11 94.79 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.804 -0.358 . . . . 0.8 110.058 175.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.75 -38.74 92.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.986 -0.552 . . . . 2.32 110.838 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.18 -39.3 86.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.858 0.361 . . . . 0.6 110.915 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.66 -52.82 39.31 Favored Glycine 0 C--O 1.223 -0.545 0 N-CA-C 111.114 -0.794 . . . . 0.41 111.114 173.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.595 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 26.7 t-20 -56.76 -36.88 70.33 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 122.948 0.499 . . . . 1.27 112.02 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.87 -45.41 82.21 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.173 -0.467 . . . . 0.93 110.612 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.7 -31.76 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.535 0.683 . . . . 0.58 110.124 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.2 t80 -58.61 -34.92 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.815 -1.084 . . . . 0.68 110.484 175.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 98.5 mttt -79.02 -9.15 59.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.373 -0.83 . . . . 1.62 111.555 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -113.06 17.36 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.266 -0.425 . . . . 2.31 110.895 -176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 9.0 mtpm? 57.46 21.01 6.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.941 -0.572 . . . . 2.39 111.967 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -94.79 66.66 3.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.137 -1.06 . . . . 1.62 108.137 171.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 83.6 m-85 -68.26 -32.09 72.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.123 -0.944 . . . . 0.71 112.262 -168.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 28.6 m-20 -67.24 -42.78 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.207 -0.664 . . . . 1.93 109.207 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 56.6 m -66.37 -37.76 86.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.34 -0.846 . . . . 0.57 110.687 176.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -60.18 -54.27 47.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.907 -0.588 . . . . 0.39 110.211 175.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.974 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -63.9 -26.17 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.306 -0.861 . . . . 0.81 110.224 -179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -61.27 -48.9 79.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.933 -0.576 . . . . 1.41 110.578 178.438 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.511 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -80.48 -31.55 37.27 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.47 110.914 -178.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 7.2 m-85 -62.28 -43.4 98.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.153 0.501 . . . . 0.48 110.234 175.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.706 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 t70 -66.99 -41.83 86.08 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.529 -0.76 . . . . 1.51 110.561 175.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' HD13 ' A' ' 43' ' ' LEU . 54.5 tptt -54.88 -47.74 73.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.386 -0.825 . . . . 1.25 110.024 173.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.78 -32.42 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.26 111.21 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 63.3 tttm -73.3 -27.78 61.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.924 0.392 . . . . 1.37 110.784 177.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.33 -26.46 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.094 0.473 . . . . 2.78 110.002 175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.9 mp -80.01 -42.94 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.825 -0.625 . . . . 0.49 110.292 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -138.15 91.21 13.12 Favored Pre-proline 0 N--CA 1.45 -0.431 0 CA-C-N 116.062 -0.517 . . . . 1.11 110.726 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -11.04 22.26 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.863 2.375 . . . . 0.64 112.604 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.5 p -95.7 -5.5 42.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.219 0.533 . . . . 0.46 110.826 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.472 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.6 t30 -90.91 94.93 9.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.994 -0.548 . . . . 2.13 109.659 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.0 ppp? -53.9 -30.59 46.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.15 -0.932 . . . . 1.05 111.603 -174.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 ' HB ' HD21 ' A' ' 47' ' ' ASN . 9.5 m -63.5 -31.21 72.3 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.977 -0.556 . . . . 0.71 111.703 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.7 m-30 -71.04 -33.16 70.04 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.395 0.616 . . . . 0.44 109.549 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 66.0 mt -78.13 -38.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 114.856 -1.065 . . . . 0.33 111.063 -175.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.5 p -70.86 -33.15 70.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.145 0.498 . . . . 0.28 110.264 178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.677 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -73.7 -32.73 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.879 -0.6 . . . . 1.59 110.083 176.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.706 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 38.7 mt-30 -54.94 -54.09 47.21 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.706 0.765 . . . . 1.34 109.572 167.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.45 -36.49 71.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.322 -1.308 . . . . 0.3 111.118 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.83 -34.46 67.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.734 -0.666 . . . . 0.3 111.104 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 34' ' ' LEU . 99.0 t -67.28 -47.08 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 CA-C-N 116.229 -0.442 . . . . 0.33 110.573 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.1 m-85 -59.97 -38.39 82.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.38 110.286 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.3 -50.28 71.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.214 -0.448 . . . . 0.56 110.422 175.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -66.54 -36.94 83.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.3 0.572 . . . . 1.42 111.037 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.787 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.2 mtpp -65.16 -30.49 71.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.439 -0.8 . . . . 1.1 111.559 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.25 -3.12 29.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.994 -0.622 . . . . 0.36 111.589 -175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -87.65 69.42 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.139 0.495 . . . . 1.26 110.379 176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 101' ' ' LYS . 90.7 m-85 -65.76 -30.47 71.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.837 -0.62 . . . . 0.43 110.854 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -67.02 -40.42 87.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.36 -0.382 . . . . 2.18 111.187 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 58.3 tptt -71.92 -34.66 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.798 0.332 . . . . 0.68 110.396 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.19 -46.65 88.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.555 -0.535 . . . . 1.29 109.555 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -59.63 -41.01 89.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.547 -0.751 . . . . 3.39 109.708 174.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.58 -59.54 5.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.086 -0.961 . . . . 2.08 111.562 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 81.5 mt -68.57 -34.53 75.97 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.478 0.547 . . . . 0.24 112.478 -173.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.415 ' HB2' HG12 ' A' ' 95' ' ' ILE . 93.1 m -61.09 -49.96 75.21 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.877 -0.329 . . . . 1.1 111.882 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -33.16 75.22 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.53 -0.468 . . . . 2.09 110.621 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.612 ' NZ ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.86 -50.07 72.38 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.834 -0.432 . . . . 1.23 109.834 174.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.59 -43.0 97.86 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.812 -0.631 . . . . 0.19 110.565 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 71' ' ' CYS . 54.4 mt -60.99 -44.24 97.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.462 -0.335 . . . . 0.23 110.415 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.33 -48.35 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.095 -0.502 . . . . 2.35 109.756 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.612 HG23 ' NZ ' ' A' ' 73' ' ' LYS . 38.0 t -63.15 -43.92 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.427 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.6 -48.63 28.21 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.76 -0.654 . . . . 0.27 112.296 -175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -64.41 -24.98 67.82 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 2.63 109.341 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.19 -53.19 15.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.384 -0.825 . . . . 1.96 110.657 173.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -84.5 14.32 4.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.35 111.2 -174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 59.25 42.89 17.73 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.634 -0.712 . . . . 4.67 111.317 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -82.99 166.3 18.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.389 -0.823 . . . . 1.6 110.201 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.632 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 10.8 t70 -50.19 111.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.569 0.748 . . . . 0.82 111.618 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 20.8 p90 -73.84 -21.49 60.1 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.062 0.458 . . . . 0.44 110.753 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.632 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 84.5 mtm180 -65.78 -42.61 90.58 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.54 -0.911 . . . . 3.04 108.54 177.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -62.73 -37.44 86.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.329 -1.305 . . . . 1.46 110.243 172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.519 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 8.8 mt -60.26 -41.12 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 0.25 111.246 174.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.653 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -61.5 -36.87 81.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.965 0.412 . . . . 0.24 110.331 175.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.7 mmmt -66.66 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.633 -0.506 . . . . 1.26 109.633 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -68.78 -44.06 74.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.23 110.184 175.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -59.59 -43.43 93.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.84 175.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.61 -37.67 84.82 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.63 -0.714 . . . . 0.26 110.351 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -71.54 -37.35 71.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 1.5 110.287 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' ALA . 62.9 mt -59.48 -54.09 39.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 120.976 0.417 . . . . 0.28 109.964 174.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.72 -35.99 92.04 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.64 -0.709 . . . . 0.23 111.587 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 1.7 t-20 -68.73 -31.27 70.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 1.64 110.423 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.9 m -65.92 -45.27 82.5 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.721 -0.474 . . . . 0.94 109.721 175.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 50.6 m-85 -61.83 -41.61 98.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.798 -0.637 . . . . 0.43 110.126 174.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -56.08 -44.29 78.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.916 -1.038 . . . . 0.43 110.623 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 10.7 mmpt? -66.36 -37.76 86.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.069 -0.514 . . . . 0.74 111.61 176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.479 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.3 pt-20 -91.13 1.78 56.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.908 0.336 . . . . 0.57 111.908 -169.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 75.31 29.27 0.93 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.417 0.627 . . . . 1.47 111.168 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.9 mtpt -108.67 57.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.535 0.683 . . . . 1.89 109.424 172.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.511 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.6 m-85 -59.83 -31.64 69.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.856 -1.066 . . . . 0.46 112.473 -173.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.69 -44.55 90.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.464 0.65 . . . . 1.57 109.873 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.74 -27.61 40.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.67 110.337 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -58.18 -57.77 11.41 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.856 -0.611 . . . . 0.22 110.285 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG23 ' SG ' ' A' ' 128' ' ' CYS . 14.1 mt -61.14 -33.85 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.496 -0.774 . . . . 0.51 111.406 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -58.82 -56.84 17.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.972 -0.558 . . . . 0.44 110.559 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.576 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 84.1 m-85 -76.37 -20.43 57.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.299 -0.41 . . . . 0.32 111.096 -178.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' OH ' ' HA ' ' A' ' 97' ' ' ASN . 5.1 m-85 -59.71 -51.95 67.57 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.987 -0.746 . . . . 0.32 108.987 168.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' HA ' HD23 ' A' ' 116' ' ' LEU . 16.6 m-80 -67.36 -18.82 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 1.77 111.223 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 48.0 mmtt -70.74 -29.9 66.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.22 0.533 . . . . 1.25 109.943 171.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.616 ' HB3' HG11 ' A' ' 124' ' ' VAL . 45.3 t -74.82 -45.97 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.298 -0.63 . . . . 1.04 109.298 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -56.73 -28.95 61.98 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.424 0.631 . . . . 0.38 109.399 172.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -63.63 -50.52 69.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.061 -0.972 . . . . 0.41 111.308 178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -84.06 -50.16 8.23 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.964 0.357 . . . . 0.53 111.964 -177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.653 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.4 t-160 -142.94 97.59 3.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.212 0.53 . . . . 0.5 109.626 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.542 ' HG3' HD12 ' A' ' 116' ' ' LEU . 60.3 ttt180 -65.57 105.97 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.248 -0.887 . . . . 2.87 110.945 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 6.6 p -128.34 137.48 30.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 121.694 0.759 . . . . 0.62 111.831 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.2 Cg_endo -49.17 -31.98 23.34 Favored 'Trans proline' 0 C--O 1.222 -0.309 0 C-N-CA 125.17 3.913 . . . . 0.76 114.124 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.98 -49.66 69.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.694 0.283 . . . . 2.2 111.326 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.4 t -74.08 -29.2 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.416 -0.514 . . . . 0.35 109.767 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.36 -44.6 87.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.147 -0.686 . . . . 0.61 109.147 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -57.99 -47.9 81.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.909 -1.042 . . . . 2.04 110.468 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 7.3 mptt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.023 -0.989 . . . . 1.48 111.297 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 26.0 t -61.51 -47.05 87.38 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.713 -0.676 . . . . 0.91 109.878 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.84 -39.11 87.82 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.845 -0.616 . . . . 1.38 110.671 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 134' ' ' ILE . 49.7 tp60 -61.65 -51.51 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 1.72 110.7 -177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.74 94.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.318 0.488 . . . . 0.29 112.318 -174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.6 pt-20 -71.84 -35.64 69.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.674 -0.41 . . . . 2.04 111.345 -178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.7 ptmt -75.82 -27.64 57.99 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.574 -0.45 . . . . 1.9 109.924 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 130' ' ' GLN . 32.2 mt -66.01 -47.09 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 0.48 110.139 171.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.511 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.3 mt -60.91 -32.38 71.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 1.37 110.54 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.89 -30.35 70.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.86 -0.609 . . . . 3.36 110.332 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -22.28 58.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.149 0.5 . . . . 2.28 110.951 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 15.0 mm100 -80.37 -21.85 41.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 1.75 110.931 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-N 116.159 -0.473 . . . . 2.99 110.605 177.709 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 121.02 0.438 . . . . 3.26 109.96 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 16.2 m120 -82.92 -22.19 33.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.987 -0.551 . . . . 1.94 110.399 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -57.43 -49.63 75.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.351 . . . . 2.19 111.444 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.55 -42.46 98.86 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.164 0.507 . . . . 2.83 110.756 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.694 ' HB3' HD23 ' A' ' 43' ' ' LEU . 32.9 tt0 -68.02 -26.64 65.99 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.774 -0.648 . . . . 2.26 110.646 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -64.67 -36.22 83.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.544 -0.298 . . . . 0.46 110.657 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 3.5 mm? -61.29 -44.93 96.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.286 -0.635 . . . . 1.98 109.286 174.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -57.54 -46.89 83.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.598 -0.728 . . . . 2.88 110.893 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 27.0 mm-40 -65.85 -36.64 84.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.476 -0.329 . . . . 0.54 111.626 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.7 ttpp -65.73 -40.24 91.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.341 -0.543 . . . . 0.8 109.633 175.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 39.6 mt-10 -64.76 -46.15 83.4 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.461 -0.336 . . . . 2.32 110.705 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.19 -45.76 92.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.6 110.872 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.76 -51.32 56.66 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 111.627 -0.589 . . . . 0.41 111.627 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 4.2 t-20 -58.34 -37.31 74.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.041 0.448 . . . . 1.27 111.383 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.03 -46.71 86.29 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.91 -0.586 . . . . 0.93 110.613 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.71 -31.47 68.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.604 0.716 . . . . 0.58 109.8 177.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 93.2 t80 -60.38 -37.83 82.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.757 -1.11 . . . . 0.68 110.683 176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 67.7 mttm -72.75 -10.29 59.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.645 -0.707 . . . . 1.62 110.978 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -106.92 10.29 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.952 -0.567 . . . . 2.31 110.189 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.1 mttp 55.81 25.45 8.44 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.76 -0.654 . . . . 2.39 111.577 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 4.8 t0 -86.16 65.83 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.336 -1.357 . . . . 1.62 107.336 174.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -58.17 -44.86 88.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.883 -1.053 . . . . 0.71 113.347 -162.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 5.8 p-10 -65.38 -38.61 90.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.331 -0.548 . . . . 1.93 110.998 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.3 m -69.84 -41.59 74.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 0.57 110.505 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -57.6 -55.48 34.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.39 110.373 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.14 -31.17 70.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.878 -1.056 . . . . 0.81 110.447 -178.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 4.7 tppt? -60.98 -45.23 95.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.463 -0.79 . . . . 1.41 110.829 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.1 m-70 -80.55 -33.53 36.13 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.47 110.498 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.66 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 3.8 m-85 -58.64 -48.74 79.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.48 110.629 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.563 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 t70 -62.07 -41.92 98.66 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.754 -0.657 . . . . 1.51 110.447 175.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 43' ' ' LEU . 54.4 tptt -55.15 -44.05 74.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.151 -0.931 . . . . 1.25 110.305 175.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -29.04 69.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.373 -0.376 . . . . 0.26 111.23 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.536 ' HB2' HE22 ' A' ' 54' ' ' GLN . 62.4 tttm -78.0 -26.53 48.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.224 0.535 . . . . 1.37 110.37 177.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -77.6 -22.12 51.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.388 0.613 . . . . 2.78 109.752 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -87.81 -49.16 7.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.381 -0.827 . . . . 0.49 110.376 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 13.0 t70 -137.21 96.21 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 121.384 0.612 . . . . 1.11 110.956 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.5 -10.36 22.02 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 123.195 2.597 . . . . 0.64 112.418 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -91.04 -0.21 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.999 -0.546 . . . . 0.46 111.389 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.542 HD21 ' HB ' ' A' ' 49' ' ' THR . 7.1 t30 -99.37 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.28 -0.637 . . . . 2.13 109.28 174.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.783 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 20.6 ptm -62.14 -28.79 69.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.761 -0.654 . . . . 1.05 111.104 -172.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.542 ' HB ' HD21 ' A' ' 47' ' ' ASN . 59.4 m -61.81 -27.25 68.63 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.71 111.574 -178.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.59 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 23.4 m-30 -69.96 -37.34 75.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.483 0.659 . . . . 0.44 109.28 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.618 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 59.3 mt -76.25 -39.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.718 -1.128 . . . . 0.33 110.896 -175.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.6 p -69.2 -38.41 78.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.153 0.501 . . . . 0.28 110.529 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.66 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.2 m120 -66.46 -32.93 74.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 1.59 110.533 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.565 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 72.5 mt-30 -61.66 -52.95 62.24 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.256 0.55 . . . . 1.34 109.751 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.91 -37.21 66.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.708 -1.133 . . . . 0.3 111.161 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 59' ' ' PHE . . . -52.13 -52.82 49.26 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.3 110.173 173.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 ' HB2' ' A' ' 34' ' ' LEU . 42.9 t -59.41 -33.98 52.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.223 -0.444 . . . . 0.33 111.06 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 66' ' ' LYS . 62.8 m-85 -66.24 -42.97 87.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.0 -0.37 . . . . 0.38 110.0 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.434 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.3 t80 -54.06 -54.16 43.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.479 -0.782 . . . . 0.56 109.561 172.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.97 -46.52 61.3 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.848 -1.069 . . . . 1.42 112.266 172.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HD3' HG12 ' A' ' 57' ' ' VAL . 3.6 mtpp -65.85 -18.99 65.72 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.221 1.008 . . . . 1.1 112.365 -176.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.6 -1.2 58.33 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.946 -0.862 . . . . 0.36 110.946 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -88.33 75.3 8.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.572 -0.814 . . . . 1.26 110.271 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -70.76 -29.27 65.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.601 . . . . 0.43 111.249 -174.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -71.64 -31.91 67.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.886 0.374 . . . . 2.18 110.724 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.617 ' NZ ' HD21 ' A' ' 70' ' ' LEU . 3.8 tmtt? -80.39 -33.79 36.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.255 -0.429 . . . . 0.68 111.147 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.12 -40.43 93.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.35 -0.981 . . . . 1.29 108.35 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.554 ' HG2' HG23 ' A' ' 95' ' ' ILE . 1.2 tmt_? -64.31 -48.92 73.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.356 -0.838 . . . . 3.39 110.206 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -52.41 -52.85 51.58 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.397 0.618 . . . . 2.08 111.04 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.617 HD21 ' NZ ' ' A' ' 66' ' ' LYS . 29.2 mt -75.8 -40.56 54.86 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.398 -0.819 . . . . 0.24 112.961 -170.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' O ' HG13 ' A' ' 75' ' ' ILE . 84.6 m -61.16 -47.0 88.23 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.541 -0.464 . . . . 1.1 111.2 -178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HG2' HD13 ' A' ' 95' ' ' ILE . 2.3 mm-40 -63.86 -35.73 81.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.704 0.287 . . . . 2.09 111.071 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -66.38 -49.58 66.39 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.735 -0.469 . . . . 1.23 109.735 176.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.62 -43.99 80.74 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.703 -0.68 . . . . 0.19 110.27 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.783 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 34.9 mt -61.78 -40.48 87.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.257 -0.429 . . . . 0.23 110.758 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -62.64 -33.56 75.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.139 0.495 . . . . 2.35 109.835 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 77.8 t -74.88 -42.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.558 -0.746 . . . . 0.25 111.32 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.506 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -72.94 -32.93 60.31 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.701 -0.761 . . . . 0.27 111.463 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 11.0 tpt180 -65.28 -32.58 74.32 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.69 -0.855 . . . . 2.63 108.69 174.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.0 tp10 -67.51 -54.77 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.31 -1.314 . . . . 1.96 111.602 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -99.42 9.71 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.768 -0.651 . . . . 1.35 111.358 -169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 60.25 48.43 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.458 -0.792 . . . . 4.67 111.141 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.679 ' CD ' ' HG2' ' A' ' 48' ' ' MET . 36.3 tt0 -84.0 168.44 15.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.826 -0.624 . . . . 1.6 110.021 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -43.82 110.12 0.19 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.423 0.689 . . . . 0.82 112.324 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.48 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.7 p90 -71.01 -20.1 62.44 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.168 0.509 . . . . 0.44 110.695 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.405 ' HA ' ' HB2' ' A' ' 119' ' ' HIS . 48.2 mtm180 -65.72 -42.49 91.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.632 -0.877 . . . . 3.04 108.632 176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -61.75 -40.68 95.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.066 -1.425 . . . . 1.46 110.009 173.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.502 HG13 ' SD ' ' A' ' 48' ' ' MET . 22.4 mt -59.94 -42.44 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.538 -0.755 . . . . 0.25 111.316 175.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.42 -39.58 93.77 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.475 -0.329 . . . . 0.24 110.49 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.6 mmtp -71.14 -29.59 65.42 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.267 -0.573 . . . . 1.26 110.469 177.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -63.73 -46.54 84.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.576 -0.527 . . . . 0.23 109.576 171.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 22.3 m-85 -58.21 -42.6 86.57 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.24 110.813 175.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.34 97.82 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.601 -0.727 . . . . 0.26 110.745 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 90' ' ' LYS . 90.1 mtt-85 -64.75 -39.18 93.2 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.068 -0.253 . . . . 1.5 110.535 177.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.554 HG23 ' HG2' ' A' ' 68' ' ' ARG . 80.2 mt -58.95 -51.32 73.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.28 109.605 174.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.54 -39.9 97.06 Favored Glycine 0 N--CA 1.441 -1.017 0 CA-C-N 115.246 -0.888 . . . . 0.23 111.93 177.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.677 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 11.2 m120 -64.54 -38.47 91.13 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.6 0.238 . . . . 1.64 110.534 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.5 m -59.17 -49.07 79.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.041 0.448 . . . . 0.94 110.087 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 41.8 m-85 -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.444 -0.798 . . . . 0.43 110.149 174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 68.0 t80 -55.95 -43.3 77.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.301 -0.863 . . . . 0.43 110.931 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -72.02 -30.45 65.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.74 110.756 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.5 pt-20 -94.25 5.34 52.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.324 -0.398 . . . . 0.57 111.193 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 75.79 11.42 3.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.74 0.816 . . . . 1.47 111.252 177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 23.7 tttp -89.93 55.64 3.21 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.895 -0.593 . . . . 1.89 110.147 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.52 ' HB2' HD13 ' A' ' 135' ' ' LEU . 65.8 m-85 -62.88 -29.74 70.99 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.854 0.687 . . . . 0.46 112.854 -171.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -56.27 -44.99 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.421 0.629 . . . . 1.57 110.099 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.15 -25.34 34.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.315 -0.857 . . . . 0.67 110.562 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -61.11 -56.93 15.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 0.22 110.091 177.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.552 HG23 ' SG ' ' A' ' 128' ' ' CYS . 7.2 mt -57.81 -36.12 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.51 111.424 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -54.68 -58.36 7.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.871 0.367 . . . . 0.44 110.898 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.479 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 87.9 m-85 -76.54 -20.49 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.304 -0.407 . . . . 0.32 111.142 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 6.6 m-30 -61.24 -55.04 36.51 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.779 -0.452 . . . . 0.32 109.779 170.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.454 ' HA ' HD23 ' A' ' 116' ' ' LEU . 25.4 t-20 -58.25 -31.14 67.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 1.77 110.837 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.0 mmtt -64.92 -32.0 73.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.955 -0.566 . . . . 1.25 110.964 174.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.684 ' HB3' HG11 ' A' ' 124' ' ' VAL . 36.3 t -71.22 -42.94 68.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.243 -0.651 . . . . 1.04 109.243 175.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.4 mm? -59.51 -25.89 64.84 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.918 -0.583 . . . . 0.38 109.579 173.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -71.79 -33.93 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.237 -0.892 . . . . 0.41 111.56 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -99.67 -51.31 3.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.53 111.74 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.681 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 15.5 t-160 -140.82 97.37 3.18 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.57 -0.529 . . . . 0.5 109.57 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.441 ' HG3' HD12 ' A' ' 116' ' ' LEU . 46.2 ttp180 -63.32 106.05 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.082 -0.963 . . . . 2.87 110.943 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.464 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 17.2 p -127.55 134.49 26.24 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 121.676 0.751 . . . . 0.62 111.166 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.5 -33.71 31.21 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 125.009 3.806 . . . . 0.76 114.159 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.99 -45.23 67.74 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 111.629 0.233 . . . . 2.2 111.629 -177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.684 HG11 ' HB3' ' A' ' 115' ' ' SER . 6.5 t -71.34 -33.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.037 -0.665 . . . . 0.35 109.757 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.0 -46.86 87.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.937 -0.764 . . . . 0.61 108.937 174.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -56.09 -48.76 75.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.957 -1.02 . . . . 2.04 110.523 174.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 10.4 mptt -62.25 -39.94 94.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 1.48 111.796 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.552 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.1 t -64.04 -47.35 80.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.874 -0.603 . . . . 0.91 109.978 -177.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -65.96 -39.81 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.195 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -59.03 -56.35 23.41 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 115.827 -0.624 . . . . 1.72 110.618 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.32 73.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.247 -0.433 . . . . 0.29 111.127 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.646 ' O ' ' HG3' ' A' ' 136' ' ' LYS . 28.0 tt0 -66.99 -49.84 64.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.98 -0.554 . . . . 2.04 110.589 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -68.42 -37.45 80.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.691 0.282 . . . . 1.9 110.577 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 61.0 mt -59.82 -48.17 88.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.48 110.453 174.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 105' ' ' TYR . 56.2 tp -60.14 -37.82 81.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.757 -0.656 . . . . 1.37 111.008 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 92.8 mttt -59.28 -34.12 71.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 3.36 110.743 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -76.88 -28.76 55.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.025 -0.534 . . . . 2.28 110.625 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 86.6 mm-40 -76.42 -23.9 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.584 -0.735 . . . . 1.75 111.304 -175.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 116.143 -0.481 . . . . 2.99 110.745 177.791 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.657 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 10.4 tp10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.013 0.435 . . . . 3.26 110.32 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 13' ' ' GLN . 92.3 m-20 -67.94 -20.52 65.08 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 115.628 -0.714 . . . . 1.94 111.466 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.657 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 62.0 mttm -56.31 -54.05 50.01 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.887 0.375 . . . . 2.19 111.113 175.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -68.02 -36.53 80.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.515 . . . . 2.83 110.073 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.543 ' HB3' HD23 ' A' ' 43' ' ' LEU . 16.6 mm-40 -63.42 -34.08 76.95 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.515 -0.766 . . . . 2.26 110.726 174.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -66.95 -34.6 78.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.771 -0.65 . . . . 0.46 110.437 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 71.0 mt -62.04 -43.88 97.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.512 -0.551 . . . . 1.98 109.512 172.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -59.28 -46.97 87.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.184 -0.917 . . . . 2.88 110.357 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 36.9 mm-40 -64.24 -36.91 85.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.862 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 18' ' ' LYS . 20.7 ttpp -63.91 -41.59 97.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.82 0.343 . . . . 0.8 110.101 176.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 50.4 mt-10 -68.19 -41.1 81.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 2.32 111.048 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.81 -40.75 97.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.832 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.33 -51.26 50.84 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.72 -0.752 . . . . 0.41 111.349 174.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.6 t30 -57.39 -35.84 70.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.981 0.42 . . . . 1.27 111.61 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.79 -43.07 84.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.203 -0.453 . . . . 0.93 110.399 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -70.76 -32.28 69.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.58 110.142 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.6 t80 -57.26 -41.6 79.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.922 . . . . 0.68 109.957 175.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 97.9 mttt -72.83 -19.27 61.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.278 -0.874 . . . . 1.62 111.109 179.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -98.84 12.57 35.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.08 -0.509 . . . . 2.31 111.156 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm 60.21 21.52 10.89 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.101 0.477 . . . . 2.39 111.607 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 2.2 t70 -99.16 63.51 1.32 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.747 -1.205 . . . . 1.62 107.747 173.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' O ' HG11 ' A' ' 57' ' ' VAL . 89.7 m-85 -60.76 -31.55 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.506 -1.225 . . . . 0.71 112.451 -169.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 10.0 m-20 -67.76 -44.7 76.88 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.516 -0.474 . . . . 1.93 110.656 176.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.1 m -66.99 -35.69 80.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.146 0.498 . . . . 0.57 110.057 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.82 -58.13 9.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 0.39 110.613 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -63.09 -28.28 69.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.284 -0.871 . . . . 0.81 110.188 -178.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -62.54 -49.19 76.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 1.41 110.798 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.1 m-70 -74.84 -36.82 62.38 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.936 0.398 . . . . 0.47 110.18 177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 1.7 m-85 -57.26 -41.27 79.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.808 -0.633 . . . . 0.48 110.55 177.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.778 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 27.9 t70 -68.84 -40.39 79.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.912 -0.585 . . . . 1.51 110.396 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HD11 ' A' ' 43' ' ' LEU . 56.9 tptt -58.72 -42.12 87.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.537 -0.756 . . . . 1.25 110.377 177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.68 70.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.26 110.872 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 61.7 tttm -75.82 -23.18 55.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.049 0.452 . . . . 1.37 110.613 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.22 -31.07 38.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.338 -0.615 . . . . 2.78 109.338 174.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 HD11 ' HE3' ' A' ' 39' ' ' LYS . 9.9 mp -76.09 -44.49 38.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.312 -0.858 . . . . 0.49 110.509 177.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -144.16 96.95 5.3 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.141 -0.624 . . . . 1.11 111.643 170.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.97 -15.74 23.34 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.215 2.61 . . . . 0.64 112.632 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -85.04 -8.51 58.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.093 -0.503 . . . . 0.46 111.021 -178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.568 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.5 t30 -90.25 94.44 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.341 -0.614 . . . . 2.13 109.341 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.9 ppp? -53.31 -30.36 38.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.921 -1.036 . . . . 1.05 111.605 -174.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.568 ' HB ' HD21 ' A' ' 47' ' ' ASN . 7.7 m -59.15 -32.94 70.33 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.571 -0.74 . . . . 0.71 112.003 -174.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.5 m-85 -70.5 -44.63 67.23 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.484 0.659 . . . . 0.44 109.595 -177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.69 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 69.9 mt -63.67 -43.64 98.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.471 -1.241 . . . . 0.33 111.406 -174.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 60.7 p -66.29 -31.5 72.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.17 0.509 . . . . 0.28 110.748 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.0 m-20 -78.05 -25.73 47.94 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 1.59 111.291 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.778 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 20.8 mt-30 -66.53 -44.07 83.44 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 107.818 -1.178 . . . . 1.34 107.818 169.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.75 -40.87 76.58 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.812 -1.54 . . . . 0.3 110.536 177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 94' ' ' ARG . . . -55.57 -35.87 66.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.264 -0.88 . . . . 0.3 111.17 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 34' ' ' LEU . 21.6 t -67.71 -46.99 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 C-N-CA 120.707 -0.397 . . . . 0.33 110.261 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.549 ' CE2' HD11 ' A' ' 34' ' ' LEU . 52.3 m-85 -55.76 -38.48 69.9 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.38 110.602 177.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -55.95 -47.53 77.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.599 -0.728 . . . . 0.56 109.914 175.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -71.62 -25.73 62.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.558 -0.746 . . . . 1.42 111.086 177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 36.5 mtmt -76.52 -22.14 54.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.891 -0.595 . . . . 1.1 111.397 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.06 -1.55 38.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.973 -0.632 . . . . 0.36 111.819 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -95.98 77.12 3.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.193 0.52 . . . . 1.26 110.261 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -70.11 -28.51 65.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.808 -0.633 . . . . 0.43 110.98 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -68.36 -41.01 81.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.494 -0.321 . . . . 2.18 111.022 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.3 tptt -70.49 -31.76 69.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.556 -0.293 . . . . 0.68 110.467 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -60.54 -47.96 83.86 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.416 -0.587 . . . . 1.29 109.416 175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HD3' ' N ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.91 -44.76 94.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.13 -0.486 . . . . 3.39 110.121 173.474 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 10.1 tp10 -50.15 -56.16 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.375 -0.83 . . . . 2.08 111.363 -178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.69 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 92.1 mt -74.71 -36.87 62.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 0.24 112.116 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' O ' HG13 ' A' ' 75' ' ' ILE . 96.7 m -62.3 -47.26 85.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.655 -0.418 . . . . 1.1 110.981 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.27 -39.23 89.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 2.09 110.78 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.575 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -63.71 -47.83 79.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.013 177.426 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.36 -43.02 96.9 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.741 -0.663 . . . . 0.19 110.646 177.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 71' ' ' CYS . 39.0 mt -60.85 -44.04 96.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.11 -0.496 . . . . 0.23 110.256 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -58.98 -46.14 88.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.956 -0.565 . . . . 2.35 109.907 176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.45 -46.92 93.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.33 -0.85 . . . . 0.25 111.969 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.16 -39.62 57.71 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.958 -0.639 . . . . 0.27 112.122 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' ILE . 27.3 ttt180 -67.14 -27.8 67.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.113 -0.699 . . . . 2.63 109.113 178.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.17 -53.22 13.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.98 -1.009 . . . . 1.96 110.237 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -91.83 26.55 2.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.617 -0.72 . . . . 1.35 111.784 -174.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? 48.41 37.78 9.42 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.751 0.786 . . . . 4.67 112.757 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -77.09 165.96 23.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.015 -0.993 . . . . 1.6 110.542 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 25.4 t70 -50.63 109.71 0.34 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.791 -0.641 . . . . 0.82 111.486 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.404 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.0 p90 -68.9 -16.43 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 0.44 111.1 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.562 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 49.5 mtm180 -65.02 -40.2 94.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.274 -0.639 . . . . 3.04 109.274 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HG2' ' OD2' ' A' ' 84' ' ' ASP . 23.5 mm-40 -66.17 -38.06 87.14 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.898 -0.592 . . . . 1.46 109.697 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -58.23 -42.11 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.803 -0.635 . . . . 0.25 111.185 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.715 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.871 0.367 . . . . 0.24 110.843 177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.3 mmmm -74.1 -28.87 61.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.515 -0.55 . . . . 1.26 109.515 177.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.552 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.12 -45.42 81.15 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.689 -0.687 . . . . 0.23 109.564 172.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 25.4 m-85 -59.24 -40.16 85.07 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.8 -0.636 . . . . 0.24 110.332 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.79 -37.08 85.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.84 -0.618 . . . . 0.26 110.891 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 54.0 mtt180 -69.08 -44.15 73.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.328 -0.249 . . . . 1.5 110.328 175.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 91' ' ' ALA . 83.8 mt -55.97 -55.24 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.216 0.531 . . . . 0.28 109.858 176.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -61.35 -38.3 95.48 Favored Glycine 0 N--CA 1.439 -1.13 0 CA-C-N 115.229 -0.896 . . . . 0.23 112.196 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 2.8 t-20 -71.78 -29.53 64.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.967 0.383 . . . . 1.64 110.463 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.7 m -61.41 -47.23 86.71 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.304 -0.628 . . . . 0.94 109.304 173.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 49.1 m-85 -62.08 -40.3 95.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.107 -0.952 . . . . 0.43 110.194 173.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 97' ' ' ASN . 76.7 t80 -58.12 -41.2 83.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.537 -0.756 . . . . 0.43 110.919 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.3 mmmt -75.96 -28.23 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.74 110.976 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 104' ' ' LYS . 1.7 pt-20 -93.04 3.75 55.19 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.767 0.318 . . . . 0.57 111.015 -174.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 73.58 23.6 2.39 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.769 0.795 . . . . 1.47 110.915 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 30.5 tttt -102.04 57.68 0.82 Allowed 'General case' 0 N--CA 1.445 -0.698 0 CA-C-O 121.731 0.776 . . . . 1.89 109.395 176.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.479 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 68.5 m-85 -64.58 -32.87 74.71 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.937 -1.029 . . . . 0.46 113.298 -169.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.98 -36.29 81.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.418 0.628 . . . . 1.57 109.798 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.93 -36.62 56.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.272 -0.876 . . . . 0.67 109.829 176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -54.99 -59.94 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.357 -0.838 . . . . 0.22 110.821 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.634 HG23 ' SG ' ' A' ' 128' ' ' CYS . 17.8 mt -61.91 -35.11 66.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 0.51 111.467 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -54.6 -53.4 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.44 110.31 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.501 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 87.7 m-85 -78.21 -24.46 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.32 111.185 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 7.7 m-85 -61.77 -51.06 69.87 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 120.708 0.29 . . . . 0.32 110.479 172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -64.09 -25.23 68.01 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.022 0.439 . . . . 1.77 109.93 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 111' ' ' PHE . 16.7 mmtt -69.91 -31.79 69.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.751 -0.659 . . . . 1.25 110.003 171.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.634 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.8 OUTLIER -67.84 -47.39 69.11 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.377 -0.972 . . . . 1.04 108.377 176.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -60.39 -28.01 67.88 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.267 -0.879 . . . . 0.38 110.32 174.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.45 -34.41 77.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.66 -0.7 . . . . 0.41 111.404 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -97.03 -49.42 5.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.936 0.398 . . . . 0.53 111.413 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.715 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.5 t-160 -143.66 98.22 3.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.495 0.664 . . . . 0.5 109.678 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 116' ' ' LEU . 66.9 ttt180 -69.86 103.41 2.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.825 -1.079 . . . . 2.87 110.738 -173.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.17 146.59 62.18 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.62 111.363 -177.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -66.1 -27.11 49.75 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.474 2.783 . . . . 0.76 113.66 -169.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -66.12 -47.35 74.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.564 0.221 . . . . 2.2 110.951 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.7 t -72.58 -33.47 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.517 -0.473 . . . . 0.35 109.982 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.46 -46.76 87.02 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.926 -0.768 . . . . 0.61 108.926 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -54.35 -48.06 71.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.921 -1.036 . . . . 2.04 110.556 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.5 mptt -65.36 -42.45 92.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.497 -0.774 . . . . 1.48 112.019 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.634 ' SG ' HG23 ' A' ' 109' ' ' ILE . 44.1 t -60.51 -48.74 80.46 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.833 -0.621 . . . . 0.91 109.969 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 96.7 mt-30 -66.2 -36.02 81.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.777 -0.647 . . . . 1.38 110.308 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.468 ' O ' HG13 ' A' ' 134' ' ' ILE . 23.4 tp60 -61.95 -45.86 91.81 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.991 -0.549 . . . . 1.72 110.533 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.58 83.51 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 111.982 0.364 . . . . 0.29 111.982 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 7.1 pt-20 -74.35 -32.38 62.76 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.619 -0.433 . . . . 2.04 111.571 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 17.4 ptpt -75.0 -31.29 61.38 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.691 -0.404 . . . . 1.9 109.97 174.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 45.4 mt -65.16 -47.31 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.48 110.174 172.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.582 ' O ' ' HG3' ' A' ' 139' ' ' GLU . 3.8 mt -63.47 -30.08 71.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.529 -0.305 . . . . 1.37 110.757 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -59.15 -37.33 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 3.36 110.09 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -76.52 -25.91 54.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.703 -0.68 . . . . 2.28 110.596 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 18.9 mm-40 -79.15 -27.8 42.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.072 -0.513 . . . . 1.75 111.612 -176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 46.9 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.573 -0.727 . . . . 2.99 110.876 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.601 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.4 tp10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.954 0.407 . . . . 3.26 110.386 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 13.8 m120 -78.27 -22.07 48.84 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.131 -0.486 . . . . 1.94 110.968 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 43.9 mttp -56.0 -40.3 73.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.806 0.336 . . . . 2.19 111.621 -178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -76.07 -40.16 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 2.83 110.674 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.62 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.6 tt0 -64.79 -32.57 74.31 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.051 0.453 . . . . 2.26 110.013 174.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -60.87 -33.84 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.637 -0.711 . . . . 0.46 110.361 177.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 59.2 mt -63.31 -43.84 96.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.31 -0.405 . . . . 1.98 110.127 174.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' HD23 ' A' ' 20' ' ' LEU . 87.0 tttt -62.44 -42.77 99.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 2.88 110.073 177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 55.6 mm-40 -63.39 -36.51 83.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.54 110.751 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 24.6 ttpp -65.27 -38.29 89.84 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 0.8 109.973 176.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 46.6 mt-10 -70.49 -40.94 73.29 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.245 -0.434 . . . . 2.32 110.96 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 16' ' ' LYS . 2.8 mm? -64.52 -40.59 95.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.916 0.389 . . . . 0.6 110.489 177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.78 -50.88 56.21 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 111.321 -0.711 . . . . 0.41 111.321 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 2.9 t-20 -59.07 -35.37 73.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 1.27 111.358 178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.2 -49.58 73.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.95 -0.568 . . . . 0.93 110.652 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -65.89 -32.95 74.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.547 -0.751 . . . . 0.58 110.034 176.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.541 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.0 t80 -59.23 -38.34 79.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.059 -0.973 . . . . 0.68 110.525 175.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 87.2 mttt -76.05 -15.6 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.681 -0.691 . . . . 1.62 111.069 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -104.22 8.06 36.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.008 -0.542 . . . . 2.31 110.422 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 64.3 mttm 59.97 26.98 16.3 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.854 -0.612 . . . . 2.39 111.578 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.481 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 5.7 t0 -99.19 63.86 1.34 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 1.62 107.364 171.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 85.1 m-85 -62.67 -28.99 70.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.814 -1.084 . . . . 0.71 112.508 -168.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 37.4 m-20 -64.83 -49.34 70.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 1.93 109.906 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.0 m -67.88 -35.6 78.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 0.57 110.629 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -59.7 -57.44 12.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.39 110.408 176.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -59.98 -26.67 66.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.949 -1.023 . . . . 0.81 110.123 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -71.18 -49.26 45.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.321 -0.854 . . . . 1.41 111.322 -178.386 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.2 m-70 -70.52 -34.72 72.62 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.563 -0.455 . . . . 0.47 110.068 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 5.5 m-85 -59.83 -35.95 75.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.803 174.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -69.26 -40.43 77.82 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 116.0 -0.545 . . . . 1.51 109.939 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' O ' HD13 ' A' ' 43' ' ' LEU . 47.2 tptt -61.58 -41.52 97.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.344 -0.844 . . . . 1.25 110.012 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.9 96.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.445 -0.343 . . . . 0.26 110.48 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -66.28 -30.1 70.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.426 0.632 . . . . 1.37 110.298 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -73.45 -38.26 65.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.48 -0.782 . . . . 2.78 110.097 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 13' ' ' GLN . 8.0 mp -71.28 -50.2 35.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.761 -0.654 . . . . 0.49 110.666 178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -139.8 106.33 6.92 Favored Pre-proline 0 N--CA 1.447 -0.61 0 C-N-CA 120.071 -0.652 . . . . 1.11 112.027 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' HG11 ' A' ' 77' ' ' VAL . 98.4 Cg_endo -76.86 -22.55 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.169 2.579 . . . . 0.64 113.084 178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 p -77.21 -15.13 59.62 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.256 0.55 . . . . 0.46 111.178 -176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.575 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.6 t30 -84.07 90.66 7.49 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.878 -0.786 . . . . 2.13 108.878 172.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.813 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.8 ptm -53.91 -26.87 27.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.164 -0.926 . . . . 1.05 112.022 -173.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.575 ' HB ' HD21 ' A' ' 47' ' ' ASN . 20.2 m -59.11 -32.15 69.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.71 111.898 -177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' CD2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 m-85 -69.76 -32.63 71.26 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.592 0.71 . . . . 0.44 109.662 -178.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 64.6 mt -79.27 -41.23 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 114.711 -1.131 . . . . 0.33 110.447 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.4 HG23 ' CB ' ' A' ' 74' ' ' ALA . 41.5 p -67.59 -39.37 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.217 -0.447 . . . . 0.28 110.667 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.41 -33.7 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.906 -0.588 . . . . 1.59 110.38 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 2.8 mt-30 -59.0 -49.1 79.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.554 0.692 . . . . 1.34 109.905 171.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.61 -28.89 67.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.761 -1.109 . . . . 0.3 111.401 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.47 84.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.3 110.929 177.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 ' HB2' ' A' ' 34' ' ' LEU . 33.8 t -67.01 -43.27 89.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.511 0 C-N-CA 120.428 -0.509 . . . . 0.33 110.524 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 65.1 m-85 -57.64 -33.41 68.26 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.286 -0.264 . . . . 0.38 110.286 177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -64.34 -39.16 93.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.344 0.592 . . . . 0.56 109.725 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -74.99 -31.25 61.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.448 -0.796 . . . . 1.42 110.535 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HG3' HG12 ' A' ' 57' ' ' VAL . 44.7 mtmt -73.9 -23.27 59.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.498 -0.773 . . . . 1.1 111.507 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.58 15.08 48.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.927 -0.654 . . . . 0.36 111.798 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.83 59.99 0.95 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.521 0.329 . . . . 1.26 110.301 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.686 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 70.8 m-85 -58.96 -29.62 67.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.31 -0.405 . . . . 0.43 111.631 -172.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.52 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.8 m-80 -58.6 -44.06 89.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.37 . . . . 2.18 110.555 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.9 tptt -77.41 -31.95 54.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.68 111.361 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.686 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 2.3 m -60.45 -42.44 96.15 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.164 -0.68 . . . . 1.29 109.164 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 1.1 tmt_? -62.73 -47.03 85.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.366 -0.834 . . . . 3.39 110.176 174.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 35.0 mm-40 -47.02 -55.91 7.38 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.83 0.706 . . . . 2.08 112.052 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 83.4 mt -75.61 -33.28 60.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.386 -0.825 . . . . 0.24 112.595 -171.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HB2' HG12 ' A' ' 95' ' ' ILE . 87.7 m -64.37 -51.74 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.552 -0.459 . . . . 1.1 111.853 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 2.5 pt-20 -69.53 -23.5 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.737 -0.385 . . . . 2.09 111.03 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.6 tpmt? -69.18 -48.36 62.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.293 -0.632 . . . . 1.23 109.293 172.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.602 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.19 -42.59 95.36 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.254 -0.884 . . . . 0.19 110.373 176.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.813 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 60.7 mt -61.11 -43.33 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.475 -0.33 . . . . 0.23 110.497 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.49 -48.14 80.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 2.35 109.829 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 45' ' ' PRO . 48.3 t -61.54 -45.1 99.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.169 -0.923 . . . . 0.25 111.701 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.49 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -70.72 -49.42 29.82 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.903 -0.59 . . . . 0.27 112.37 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.406 ' HD3' HG22 ' A' ' 75' ' ' ILE . 20.6 ptt180 -66.52 -20.01 65.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.027 0.441 . . . . 2.63 109.823 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 32.9 tt0 -70.21 -50.58 38.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.595 -0.73 . . . . 1.96 110.116 171.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -85.63 7.06 24.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.521 -0.763 . . . . 1.35 111.43 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 61.69 36.79 16.33 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.688 0.756 . . . . 4.67 110.42 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.0 tp10 -76.5 167.54 21.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.796 -1.093 . . . . 1.6 110.739 -177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.58 ' OD1' ' HB2' ' A' ' 86' ' ' ARG . 8.4 t70 -44.16 110.01 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.159 0.912 . . . . 0.82 111.931 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.5 p90 -76.04 -20.45 57.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.154 0.502 . . . . 0.44 110.579 -178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.58 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 86.7 mtm180 -65.89 -42.97 89.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.551 -0.907 . . . . 3.04 108.551 176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.12 -40.92 95.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.261 -1.336 . . . . 1.46 109.766 172.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 9.9 mt -57.34 -42.38 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.524 -0.762 . . . . 0.25 111.683 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.42 -37.74 88.43 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.906 0.384 . . . . 0.24 110.47 177.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 30.1 mmmt -68.6 -31.51 70.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.629 -0.508 . . . . 1.26 109.629 177.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.49 -45.31 84.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.23 110.114 173.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 21.6 m-85 -59.33 -43.41 92.73 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 116.104 -0.498 . . . . 0.24 111.213 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.87 -40.77 94.2 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.716 -0.674 . . . . 0.26 110.245 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.48 -33.75 73.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.11 -0.495 . . . . 1.5 110.756 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 91' ' ' ALA . 69.2 mt -62.72 -50.01 81.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.182 -0.673 . . . . 0.28 109.182 172.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -59.43 -39.06 94.36 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.683 -0.77 . . . . 0.23 111.771 176.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 90.9 m-20 -66.15 -40.54 90.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.484 0.179 . . . . 1.64 111.484 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -61.06 -41.35 96.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.89 0.376 . . . . 0.94 110.026 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 50.7 m-85 -68.04 -41.53 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.768 -0.651 . . . . 0.43 110.47 175.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -54.91 -43.5 73.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.237 -0.892 . . . . 0.43 110.832 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 29.9 mmmt -73.68 -27.96 61.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 0.74 110.944 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.7 pt-20 -93.08 3.05 56.4 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.555 -0.293 . . . . 0.57 111.31 -174.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 79.71 11.7 1.22 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.696 0.798 . . . . 1.47 111.564 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 60.7 mttm -92.26 66.42 4.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.624 0.726 . . . . 1.89 109.68 174.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.536 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 62.0 m-85 -67.58 -31.12 70.96 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.161 -0.927 . . . . 0.46 112.095 -175.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.24 -39.01 91.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.083 0.468 . . . . 1.57 109.935 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.91 -35.59 50.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.67 109.935 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.7 -60.84 2.79 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.893 -0.594 . . . . 0.22 110.354 177.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.594 HG23 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -57.39 -35.79 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.606 . . . . 0.51 111.345 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -57.14 -56.88 16.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.267 -0.424 . . . . 0.44 110.612 178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 92.2 m-85 -76.88 -20.91 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.32 111.116 -177.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -62.13 -54.2 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.608 -0.515 . . . . 0.32 109.608 170.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.455 ' HA ' HD23 ' A' ' 116' ' ' LEU . 11.5 t-20 -61.34 -29.88 70.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 1.77 110.379 179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 18.3 mmtt -64.51 -32.21 73.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 1.25 110.759 174.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.627 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.1 t -70.67 -44.18 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.295 -0.631 . . . . 1.04 109.295 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.522 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.2 mm? -58.16 -30.32 66.29 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.388 0.613 . . . . 0.38 109.802 173.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -67.11 -33.77 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.0 -1.0 . . . . 0.41 111.655 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -98.67 -49.8 4.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.689 0.281 . . . . 0.53 111.705 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.662 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -145.47 98.0 3.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.123 0.487 . . . . 0.5 109.726 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.522 ' HG3' HD12 ' A' ' 116' ' ' LEU . 75.3 ttt180 -61.06 111.84 1.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.267 -0.879 . . . . 2.87 110.272 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.3 p -135.45 144.21 48.47 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.833 -0.621 . . . . 0.62 111.006 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 12.0 Cg_exo -65.99 -28.97 49.43 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.402 2.735 . . . . 0.76 113.551 -169.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.47 -39.93 77.41 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 122.997 0.186 . . . . 2.2 111.408 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.627 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.6 t -77.35 -33.94 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.585 -0.846 . . . . 0.35 109.812 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.55 -47.48 86.0 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.682 -0.859 . . . . 0.61 108.682 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -57.51 -47.76 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.6 -1.182 . . . . 2.04 110.857 175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -65.46 -41.16 93.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.528 -0.76 . . . . 1.48 111.795 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.594 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.9 t -63.43 -46.98 83.82 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.91 110.113 -176.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.83 -31.95 72.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.811 -0.631 . . . . 1.38 110.231 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.17 -56.42 16.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.327 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.21 -34.87 70.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.023 0.44 . . . . 0.29 110.893 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -66.43 -50.23 64.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.456 -0.793 . . . . 2.04 110.502 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -70.35 -31.69 69.07 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.848 0.356 . . . . 1.9 110.826 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.83 -45.11 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.48 110.319 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 139' ' ' GLU . 1.1 mt -61.11 -36.97 81.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.722 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -62.59 -34.37 76.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.121 0.486 . . . . 3.36 110.32 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -72.85 -26.43 61.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 2.28 110.903 176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -79.07 -23.13 44.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.77 -0.65 . . . . 1.75 111.4 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.6 mm-40 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.821 -0.609 . . . . 2.99 110.748 -178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.675 -0.491 . . . . 3.26 109.675 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 90.8 m-20 -52.81 -22.99 6.02 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.623 0.369 . . . . 1.94 111.611 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.618 ' HG3' ' OD2' ' A' ' 44' ' ' ASP . 2.1 mptp? -59.93 -49.23 78.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.228 -0.442 . . . . 2.19 111.566 -176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.2 -43.92 90.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 2.83 110.344 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.635 ' HB3' HD23 ' A' ' 43' ' ' LEU . 24.6 tt0 -64.43 -27.28 68.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.92 -0.582 . . . . 2.26 110.726 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -62.72 -37.07 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.46 110.196 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 50.9 tp -64.92 -40.1 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.49 -0.559 . . . . 1.98 109.49 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -65.42 -45.27 84.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.552 -0.749 . . . . 2.88 110.313 178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 57.6 mm-40 -60.64 -38.06 83.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.567 176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.674 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 22.2 ttpp -63.23 -39.82 95.69 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.777 -0.369 . . . . 0.8 110.18 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 72.9 mt-10 -69.99 -39.34 75.96 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.464 -0.335 . . . . 2.32 110.839 178.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -66.25 -38.48 87.95 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.86 0.362 . . . . 0.6 110.592 177.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -66.88 -48.13 62.65 Favored Glycine 0 C--O 1.222 -0.61 0 N-CA-C 111.359 -0.697 . . . . 0.41 111.359 173.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 3.3 t-20 -66.58 -33.11 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.27 110.57 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.94 -49.77 76.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.607 -0.724 . . . . 0.93 110.289 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 29' ' ' ASP . . . -67.59 -34.02 76.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.278 -0.874 . . . . 0.58 109.93 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.46 -43.33 97.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.034 -0.985 . . . . 0.68 110.819 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 62.5 mttm -65.81 -22.89 66.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.667 -0.697 . . . . 1.62 111.044 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -98.25 7.78 45.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 2.31 110.504 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt 58.66 28.54 17.33 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.381 -0.827 . . . . 2.39 112.593 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 8.8 t0 -87.89 68.16 9.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.185 -1.413 . . . . 1.62 107.185 171.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' O ' HG11 ' A' ' 57' ' ' VAL . 28.3 m-85 -57.75 -39.0 76.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.033 -0.985 . . . . 0.71 113.359 -163.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.605 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -66.38 -47.88 71.95 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.317 -0.553 . . . . 1.93 110.256 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.3 m -62.51 -40.01 95.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 0.57 110.618 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.39 -54.77 41.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.905 -0.589 . . . . 0.39 110.328 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -61.0 -26.5 67.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.262 -0.881 . . . . 0.81 110.381 -179.212 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.605 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.2 tppt? -68.83 -50.59 48.81 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.461 -0.79 . . . . 1.41 110.906 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 98.4 m-70 -73.74 -31.14 63.21 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.678 -0.409 . . . . 0.47 109.996 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.598 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 9.2 m-85 -60.85 -42.74 98.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 0.48 109.575 172.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.789 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 17.0 t70 -65.71 -43.06 90.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.335 -0.848 . . . . 1.51 110.059 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.3 tptm -60.6 -41.69 95.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.408 -0.814 . . . . 1.25 110.154 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.12 -36.61 84.17 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.609 -0.269 . . . . 0.26 110.594 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -71.05 -31.8 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.334 0.588 . . . . 1.37 110.238 175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -68.0 -37.31 81.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.701 -0.682 . . . . 2.78 109.506 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.5 mp -76.84 -39.28 51.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.217 -0.901 . . . . 0.49 110.918 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.618 ' OD2' ' HG3' ' A' ' 11' ' ' LYS . 5.3 t70 -142.68 92.31 7.18 Favored Pre-proline 0 N--CA 1.449 -0.49 0 C-N-CA 120.728 -0.389 . . . . 1.11 111.307 175.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.41 -12.65 22.85 Favored 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 123.01 2.474 . . . . 0.64 112.686 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 p -89.95 -16.8 29.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.151 0.5 . . . . 0.46 111.101 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.58 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.9 t30 -80.39 94.73 6.22 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.154 -0.684 . . . . 2.13 109.154 175.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.771 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.1 ptm -54.77 -27.59 42.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.297 -0.865 . . . . 1.05 112.066 -173.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.58 ' HB ' HD21 ' A' ' 47' ' ' ASN . 9.6 m -62.16 -26.5 68.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.419 -0.355 . . . . 0.71 111.605 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.762 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.6 m-85 -81.14 -16.76 52.05 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 121.867 0.842 . . . . 0.44 110.03 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 60.8 mt -87.38 -36.98 10.47 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-O 121.39 0.614 . . . . 0.33 109.618 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 74' ' ' ALA . 46.1 p -73.0 -31.15 64.32 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.642 -0.708 . . . . 0.28 111.111 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.762 ' ND2' ' HA ' ' A' ' 50' ' ' TYR . 31.4 p30 -70.29 -35.85 73.98 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.838 -0.43 . . . . 1.59 109.838 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.789 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 63.4 mt-30 -58.82 -50.33 74.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.227 0.537 . . . . 1.34 110.405 172.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.7 -34.28 67.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.972 -1.013 . . . . 0.3 111.286 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.06 80.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.814 -0.63 . . . . 0.3 111.402 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' A' ' 34' ' ' LEU . 40.9 t -72.34 -34.05 47.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.397 0 C-N-CA 120.716 -0.393 . . . . 0.33 110.747 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 66' ' ' LYS . 72.5 m-85 -64.48 -38.15 90.01 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.165 0.507 . . . . 0.38 109.716 175.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -57.61 -49.7 75.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.276 -0.875 . . . . 0.56 110.169 173.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -67.37 -33.95 76.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 1.42 111.406 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -64.45 -32.32 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.254 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.87 -5.44 30.77 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.248 -0.741 . . . . 0.36 111.248 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.66 68.36 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.06 0.457 . . . . 1.26 110.34 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.43 -30.02 71.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.884 -0.598 . . . . 0.43 110.263 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -59.12 -34.87 72.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.643 -0.708 . . . . 2.18 111.499 175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 1.4 tmtm? -86.32 -30.46 22.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.513 -0.312 . . . . 0.68 110.244 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 25.4 t -58.87 -47.4 85.03 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.952 -0.388 . . . . 1.29 109.952 176.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -72.34 -24.96 61.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 3.39 110.691 177.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 8.1 tp10 -65.44 -55.16 19.55 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.37 0.605 . . . . 2.08 110.28 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 46.4 mt -72.35 -35.95 68.66 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.515 -174.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.489 ' O ' HG13 ' A' ' 75' ' ' ILE . 88.7 m -62.73 -46.53 87.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.645 -0.422 . . . . 1.1 111.667 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG2' HD13 ' A' ' 95' ' ' ILE . 1.7 mm-40 -61.84 -34.42 75.93 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.937 0.399 . . . . 2.09 110.396 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -64.24 -51.32 64.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.91 -0.587 . . . . 1.23 110.189 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -57.19 -42.66 81.65 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.19 110.409 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.771 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 33.3 mt -62.87 -42.97 98.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.09 -0.504 . . . . 0.23 110.934 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.36 -47.85 83.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.379 0.609 . . . . 2.35 109.789 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.96 -48.8 87.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.882 -1.053 . . . . 0.25 111.586 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.416 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.38 -38.62 87.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.987 -0.625 . . . . 0.27 112.113 -177.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -69.15 -25.6 64.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.439 -0.578 . . . . 2.63 109.439 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.49 -53.35 9.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.331 -0.85 . . . . 1.96 110.509 174.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -78.72 -0.41 30.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.308 -0.86 . . . . 1.35 111.902 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 64.5 49.82 2.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.608 -0.724 . . . . 4.67 110.397 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.0 tp10 -90.65 167.56 12.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.888 -1.051 . . . . 1.6 110.148 -178.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -44.58 107.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.716 0.806 . . . . 0.82 112.038 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 13.9 p90 -71.85 -20.71 61.77 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 121.331 0.586 . . . . 0.44 110.257 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 85.4 mtt180 -66.24 -41.05 90.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.686 -0.688 . . . . 3.04 109.294 176.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -63.57 -37.42 87.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.723 -1.126 . . . . 1.46 110.039 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 11.8 mt -59.82 -43.44 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.782 -0.645 . . . . 0.25 111.282 174.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.706 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.17 -39.87 94.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.382 -0.372 . . . . 0.24 110.314 176.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -65.18 -32.46 74.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.006 0.431 . . . . 1.26 109.863 177.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -66.64 -44.06 82.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 0.23 110.0 173.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.4 m-85 -60.5 -43.07 97.42 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.29 -0.413 . . . . 0.24 110.96 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.55 -30.65 71.42 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 0.26 110.646 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 36.2 ttm180 -78.09 -34.55 50.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.336 -0.393 . . . . 1.5 110.17 178.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 91' ' ' ALA . 85.1 mt -62.57 -50.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.456 0.646 . . . . 0.28 109.352 171.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.51 -31.34 79.35 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.543 -0.837 . . . . 0.23 111.451 176.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.1 t30 -71.96 -39.07 69.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.526 0.203 . . . . 1.64 110.873 -178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.4 p -63.34 -41.11 98.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.94 110.459 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 52.3 m-85 -67.35 -38.44 84.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.43 110.271 174.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.17 -29.05 68.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.385 -0.825 . . . . 0.43 110.855 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.9 mmmt -84.05 -35.28 23.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.346 -0.388 . . . . 0.74 111.035 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 5.1 pt-20 -88.17 1.93 53.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.356 . . . . 0.57 111.132 -173.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' TYR . 37.5 mt-10 75.99 19.16 1.91 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.478 -0.783 . . . . 1.47 111.868 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 46.3 mttp -93.16 61.31 3.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.271 0.557 . . . . 1.89 109.658 171.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.501 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 94.8 m-85 -67.22 -24.98 65.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.46 111.509 -175.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.539 ' HE2' HD21 ' A' ' 135' ' ' LEU . 71.3 mmtt -57.64 -49.81 75.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.374 0.606 . . . . 1.57 109.395 174.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -74.79 -32.08 61.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.897 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.518 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.01 -56.56 20.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 0.22 110.36 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.597 HG23 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -61.27 -33.11 55.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.51 111.214 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -56.99 -57.33 12.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.081 0.467 . . . . 0.44 110.083 177.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 90.8 m-85 -75.8 -20.43 58.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.739 -0.664 . . . . 0.32 111.125 -177.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 7.6 m-30 -62.76 -54.15 43.43 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.832 -0.347 . . . . 0.32 110.094 171.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -60.55 -26.86 67.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 1.77 110.531 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.9 mmtt -67.97 -34.26 76.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.25 110.578 173.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.708 ' HB3' HG11 ' A' ' 124' ' ' VAL . 35.4 t -72.11 -41.97 66.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.455 -0.572 . . . . 1.04 109.455 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.69 -34.94 67.9 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.265 -0.643 . . . . 0.38 109.265 171.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -61.72 -52.52 63.94 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.874 -1.057 . . . . 0.41 111.525 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -81.27 -49.46 10.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.897 0.332 . . . . 0.53 111.897 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.706 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 7.1 t-160 -147.3 97.37 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.2 0.524 . . . . 0.5 110.113 -176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -63.4 118.39 8.01 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.37 -0.832 . . . . 2.87 110.864 -178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 1.0 OUTLIER -139.71 137.64 18.86 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 121.811 0.815 . . . . 0.62 111.291 -178.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 6.9 Cg_endo -46.07 -40.16 20.69 Favored 'Trans proline' 0 C--N 1.342 0.237 1 C-N-CA 125.56 4.174 . . . . 0.76 114.623 -177.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -69.0 -39.39 79.38 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 121.263 -0.175 . . . . 2.2 111.467 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.708 HG11 ' HB3' ' A' ' 115' ' ' SER . 14.8 t -72.53 -35.99 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.183 -0.607 . . . . 0.35 109.856 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.07 -48.93 79.45 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.767 -0.827 . . . . 0.61 108.767 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -53.75 -50.18 66.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.741 -1.118 . . . . 2.04 110.757 173.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -63.53 -41.43 98.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.243 -0.89 . . . . 1.48 111.945 -178.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.597 ' SG ' HG23 ' A' ' 109' ' ' ILE . 41.3 t -66.17 -45.35 81.19 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.055 -0.52 . . . . 0.91 110.08 -176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -67.34 -34.18 76.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.178 -0.464 . . . . 1.38 110.182 176.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -65.15 -52.51 54.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.596 . . . . 1.72 110.402 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.03 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.867 -0.606 . . . . 0.29 112.253 -174.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 3.7 pt-20 -69.8 -45.53 67.73 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.314 -0.554 . . . . 2.04 111.317 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 16.7 ptmt -65.33 -38.33 89.8 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.425 -0.51 . . . . 1.9 110.149 179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 40.2 mt -57.9 -52.45 57.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.867 -0.606 . . . . 0.48 110.664 173.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.567 ' HA ' ' OE1' ' A' ' 138' ' ' GLN . 29.6 tp -65.82 -35.68 81.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 1.37 111.108 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 132' ' ' GLU . 61.3 mtpt -66.21 -28.66 68.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.674 0.273 . . . . 3.36 110.748 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 42.2 mt-10 -73.32 -21.99 60.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 2.28 110.212 173.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 52.2 mt-30 -86.21 -41.14 14.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.692 -0.685 . . . . 1.75 111.678 -174.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 5.8 pt-20 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 119.239 -0.41 . . . . 2.99 111.09 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.607 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 8.7 tp10 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.308 0.575 . . . . 3.26 110.379 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 5.2 m-20 -73.33 -20.15 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.628 -0.714 . . . . 1.94 112.413 -174.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.607 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.2 mttt -53.77 -49.28 68.61 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.938 0.348 . . . . 2.19 111.938 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 35.9 mtmm -75.62 -29.76 59.32 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.655 -0.418 . . . . 2.83 110.722 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' HB3' HD23 ' A' ' 43' ' ' LEU . 28.2 tt0 -61.82 -33.99 75.13 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.297 0.57 . . . . 2.26 109.594 173.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 43' ' ' LEU . . . -62.62 -35.28 79.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.207 -0.906 . . . . 0.46 110.554 176.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 27.9 mt -60.02 -38.13 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 1.98 110.543 174.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -70.76 -41.27 71.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.963 -0.562 . . . . 2.88 110.186 178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -65.1 -32.14 73.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.608 -0.269 . . . . 0.54 110.633 176.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 25.6 ttpp -66.39 -39.87 89.3 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.8 109.718 174.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.95 -45.83 84.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.098 -0.501 . . . . 2.32 110.733 175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.16 -45.53 92.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.6 110.631 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -60.53 -53.19 47.5 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 111.606 -0.598 . . . . 0.41 111.606 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 64.3 t30 -59.22 -33.36 70.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.879 0.371 . . . . 1.27 111.576 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.32 -50.24 60.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.418 -0.356 . . . . 0.93 110.162 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.14 77.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.471 0.653 . . . . 0.58 109.826 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 66.1 t80 -55.91 -38.7 70.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.701 -1.136 . . . . 0.68 110.587 175.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 66.5 mttm -75.17 -20.31 59.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.73 -0.668 . . . . 1.62 111.422 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -93.8 9.48 37.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.649 -0.251 . . . . 2.31 110.9 177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 63.19 19.65 11.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.19 0.519 . . . . 2.39 111.444 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.65 63.16 7.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.109 -1.071 . . . . 1.62 108.109 171.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -63.64 -35.98 82.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.518 -0.765 . . . . 0.71 112.783 -168.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.604 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -63.35 -46.34 87.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.951 -0.699 . . . . 1.93 109.607 176.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.4 m -64.27 -35.75 81.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.552 -0.749 . . . . 0.57 110.924 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.66 -55.65 30.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.107 0.479 . . . . 0.39 109.883 174.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.906 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -57.03 -30.62 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.812 -1.085 . . . . 0.81 110.102 178.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.604 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 1.3 tppt? -63.07 -52.2 63.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.603 -0.726 . . . . 1.41 111.322 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -74.75 -33.68 62.37 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.764 0.316 . . . . 0.47 110.702 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.515 ' HB3' ' CG ' ' A' ' 54' ' ' GLN . 6.1 m-85 -60.68 -43.4 97.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.161 -0.472 . . . . 0.48 110.398 176.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.14 -38.91 86.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.691 -0.686 . . . . 1.51 109.977 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' O ' HD13 ' A' ' 43' ' ' LEU . 53.5 tptt -57.23 -46.17 83.22 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.368 -0.833 . . . . 1.25 110.109 174.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -29.92 69.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.9 -0.591 . . . . 0.26 111.0 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -71.09 -32.35 68.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.067 0.46 . . . . 1.37 110.902 176.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -75.16 -26.43 59.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.155 0.502 . . . . 2.78 109.851 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.4 mp -78.0 -38.84 44.01 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.49 110.269 176.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 53.7 t0 -134.76 95.14 15.91 Favored Pre-proline 0 C--O 1.214 -0.792 0 CA-C-N 116.004 -0.543 . . . . 1.11 109.903 173.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.7 -20.03 35.63 Favored 'Trans proline' 0 CA--C 1.528 0.195 0 C-N-CA 122.903 2.402 . . . . 0.64 113.178 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.0 p -89.91 34.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.932 0.873 . . . . 0.46 110.474 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.799 ' ND2' ' HB2' ' A' ' 50' ' ' TYR . 5.5 p-10 -97.19 120.28 37.26 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.213 -1.358 . . . . 2.13 111.87 -172.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.646 ' HE1' ' HA ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -80.94 -44.21 18.57 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.752 -0.833 . . . . 1.05 108.752 164.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 m -65.85 -44.13 86.42 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.507 -0.77 . . . . 0.71 112.426 -171.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.799 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 16.3 m-85 -67.67 -18.97 65.12 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.451 -0.499 . . . . 0.44 110.634 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.772 HG13 ' ND2' ' A' ' 47' ' ' ASN . 63.1 mt -84.86 -44.13 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 120.857 0.36 . . . . 0.33 110.52 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 91' ' ' ALA . 77.6 p -65.66 -36.57 84.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.28 111.031 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.509 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 25.6 m-80 -70.57 -31.91 69.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.945 -0.57 . . . . 1.59 110.517 176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 39.9 mt-30 -63.02 -46.98 85.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.188 0.518 . . . . 1.34 109.888 170.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.58 -41.7 77.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.072 -0.967 . . . . 0.3 110.816 178.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.37 70.3 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.614 -0.721 . . . . 0.3 110.811 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.906 HG11 ' HB2' ' A' ' 34' ' ' LEU . 57.7 t -65.02 -49.28 80.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 116.334 -0.393 . . . . 0.33 110.25 177.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 66.8 m-85 -56.4 -38.1 71.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.256 0.347 . . . . 0.38 110.632 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -58.28 -46.29 86.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.56 110.048 176.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.02 -28.02 63.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.828 -0.624 . . . . 1.42 110.826 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.606 ' HG3' HG12 ' A' ' 57' ' ' VAL . 13.1 mtmt -71.4 -22.57 61.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.464 -0.789 . . . . 1.1 110.708 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.81 -2.03 48.58 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.584 -0.607 . . . . 0.36 111.584 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -91.63 80.25 5.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 1.26 109.617 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -70.68 -28.95 65.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.43 110.845 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 38.7 m-80 -67.99 -36.34 79.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 2.18 110.982 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 52.7 tptt -76.18 -35.03 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.808 -0.357 . . . . 0.68 110.837 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.3 t -60.84 -49.82 75.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.29 110.414 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -66.72 -29.56 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 3.39 109.863 176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 12.7 tp10 -63.09 -56.8 13.82 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.326 -0.852 . . . . 2.08 110.785 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 39.9 mt -68.88 -40.04 79.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.24 112.121 -174.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.595 ' O ' HG13 ' A' ' 75' ' ' ILE . 99.2 m -56.83 -48.2 78.57 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.787 -0.365 . . . . 1.1 111.669 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.68 -37.5 87.6 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.88 0.372 . . . . 2.09 110.811 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' NZ ' HG23 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -62.72 -47.57 83.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 1.23 110.306 175.364 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.7 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.89 -44.75 94.05 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.873 -0.603 . . . . 0.19 109.954 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 71' ' ' CYS . 53.1 mt -57.85 -44.17 85.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.957 -0.565 . . . . 0.23 110.435 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.33 -41.69 94.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.1 -0.5 . . . . 2.35 110.368 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.631 HG23 ' NZ ' ' A' ' 73' ' ' LYS . 39.2 t -68.99 -44.52 81.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 115.445 -0.798 . . . . 0.25 111.256 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.29 -39.82 61.58 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.133 -0.556 . . . . 0.27 112.024 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -67.19 -25.82 66.32 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.462 0.649 . . . . 2.63 109.287 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 4.7 tt0 -65.14 -54.6 27.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.952 -1.022 . . . . 1.96 110.987 173.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -95.36 9.13 41.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.026 -0.988 . . . . 1.35 111.241 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 60.69 44.54 11.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 4.67 111.126 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.86 167.61 20.91 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.067 -0.97 . . . . 1.6 109.903 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 30.4 t70 -46.31 110.6 0.29 Allowed 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.647 0.592 . . . . 0.82 112.168 -177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.531 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.3 p90 -71.12 -20.18 62.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.134 0.492 . . . . 0.44 110.466 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 79.7 mtm180 -65.64 -38.84 90.49 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.855 -0.794 . . . . 3.04 108.855 176.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HG3' ' SD ' ' A' ' 48' ' ' MET . 9.1 tp-100 -67.09 -39.02 86.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.037 -1.438 . . . . 1.46 110.118 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.646 ' HA ' ' HE1' ' A' ' 48' ' ' MET . 13.1 mt -59.85 -39.82 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.743 -0.662 . . . . 0.25 111.265 175.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.669 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.57 -34.28 77.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.894 0.378 . . . . 0.24 110.568 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.1 mmmt -66.65 -35.12 79.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.41 -0.589 . . . . 1.26 109.41 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -62.95 -50.42 70.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.4 -0.818 . . . . 0.23 110.223 174.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -55.95 -44.37 78.36 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.24 111.568 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -63.3 -38.52 91.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.914 -0.585 . . . . 0.26 110.864 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -73.31 -34.94 65.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.162 -0.215 . . . . 1.5 110.771 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 91' ' ' ALA . 84.6 mt -58.77 -54.68 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.365 -0.606 . . . . 0.28 109.365 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.09 -37.88 95.2 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.367 -0.833 . . . . 0.23 112.027 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 1.3 t-20 -69.41 -28.28 66.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.657 0.265 . . . . 1.64 110.738 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -67.0 -49.6 64.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.502 -0.555 . . . . 0.94 109.502 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 56.7 m-85 -56.08 -41.65 75.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.584 -0.735 . . . . 0.43 109.89 173.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 97' ' ' ASN . 66.6 t80 -55.71 -42.88 75.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.169 -0.923 . . . . 0.43 111.184 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.6 mmmt -78.06 -25.5 47.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.74 111.154 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -93.48 4.84 53.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.232 -0.44 . . . . 0.57 110.692 -174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 77.75 11.99 1.98 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.897 0.879 . . . . 1.47 111.092 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 13.7 tttp -93.92 57.66 2.48 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.639 -0.71 . . . . 1.89 109.956 178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.687 ' HB2' HD23 ' A' ' 135' ' ' LEU . 84.6 m-85 -64.51 -31.88 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.029 0.751 . . . . 0.46 113.029 -171.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.3 -39.63 87.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.253 0.549 . . . . 1.57 109.626 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.46 ' HB2' ' HG2' ' A' ' 104' ' ' LYS . 2.3 m-20 -77.28 -31.97 55.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.24 -0.891 . . . . 0.67 110.499 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.04 -57.31 12.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.172 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.472 HG23 ' SG ' ' A' ' 128' ' ' CYS . 7.9 mt -58.41 -35.9 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.554 -0.748 . . . . 0.51 111.489 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -52.92 -59.63 4.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.928 0.394 . . . . 0.44 110.455 178.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.42 -20.62 54.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.102 -0.499 . . . . 0.32 111.228 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.1 m-30 -60.24 -56.5 20.8 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.872 -0.418 . . . . 0.32 109.872 171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.71 -24.5 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.216 0.531 . . . . 1.77 110.824 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 10.5 mmtm -71.67 -31.73 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.626 -0.716 . . . . 1.25 111.013 175.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.61 ' HB3' HG11 ' A' ' 124' ' ' VAL . 44.2 t -71.67 -41.41 68.73 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.83 -0.804 . . . . 1.04 108.83 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD12 ' HG3' ' A' ' 120' ' ' ARG . 3.1 mm? -60.04 -21.82 61.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.618 -0.719 . . . . 0.38 109.926 172.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -78.35 -34.57 48.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.44 -0.8 . . . . 0.41 111.451 -178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -97.48 -50.65 4.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.84 0.311 . . . . 0.53 111.84 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.669 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.4 t-160 -143.27 97.93 3.17 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.493 0.663 . . . . 0.5 109.702 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 116' ' ' LEU . 4.9 ttm180 -66.11 106.83 1.73 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.857 -1.065 . . . . 2.87 110.912 -175.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.6 p -125.67 144.84 49.47 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.433 -0.803 . . . . 0.62 110.832 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 15.0 Cg_exo -64.71 -25.69 61.15 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.443 2.762 . . . . 0.76 113.105 -172.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -66.14 -46.98 75.57 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.53 -0.305 . . . . 2.2 110.94 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.8 t -73.88 -29.72 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.354 -0.538 . . . . 0.35 110.191 -177.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.3 tt -64.39 -49.35 71.95 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.843 -0.799 . . . . 0.61 108.843 174.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -54.37 -48.22 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.062 -0.972 . . . . 2.04 110.515 173.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -41.49 96.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.228 -0.897 . . . . 1.48 111.977 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 109' ' ' ILE . 50.3 t -64.66 -44.5 90.22 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.068 -0.515 . . . . 0.91 110.085 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.569 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 97.5 mt-30 -63.32 -42.2 98.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.126 -0.488 . . . . 1.38 109.964 175.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -59.42 -55.36 35.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 1.72 110.828 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.38 -31.56 72.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.595 -0.275 . . . . 0.29 111.416 -177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -68.5 -48.23 64.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.408 -0.36 . . . . 2.04 110.647 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 15.9 ptpt -70.65 -35.91 73.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 1.9 110.61 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.418 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 50.5 mt -61.94 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.48 110.49 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.687 HD23 ' HB2' ' A' ' 105' ' ' TYR . 2.4 tm? -58.28 -38.16 76.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 1.37 110.046 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.462 ' HA ' ' OE2' ' A' ' 139' ' ' GLU . 18.4 ttmm -70.37 -30.06 66.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 3.36 110.912 178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 69.7 mt-10 -71.88 -26.99 62.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 2.28 109.852 174.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 84.7 mm-40 -85.85 -7.59 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 1.75 111.375 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 135' ' ' LEU . 45.4 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.515 -0.755 . . . . 2.99 110.032 176.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 18.4 tt0 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.893 -0.41 . . . . 3.26 109.893 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.545 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 78.9 m-20 -74.92 -27.39 60.19 Favored 'General case' 0 C--O 1.222 -0.387 0 O-C-N 122.204 -0.31 . . . . 1.94 111.63 -172.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HG2' ' OD2' ' A' ' 44' ' ' ASP . 97.5 mttt -58.73 -43.83 90.29 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.062 0.458 . . . . 2.19 110.728 178.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -65.65 -47.1 76.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.907 -0.588 . . . . 2.83 110.482 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.731 ' HB3' HD23 ' A' ' 43' ' ' LEU . 27.0 tt0 -64.3 -28.36 69.66 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.669 -0.696 . . . . 2.26 110.695 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -62.87 -37.57 87.42 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.875 0.369 . . . . 0.46 110.564 177.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 3.3 tm? -62.6 -43.14 99.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.778 -0.823 . . . . 1.98 108.778 175.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' HD23 ' A' ' 20' ' ' LEU . 54.3 tttp -60.57 -46.95 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.74 . . . . 2.88 110.221 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 63.2 mm-40 -60.55 -38.13 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.407 -0.361 . . . . 0.54 111.612 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.33 -39.03 85.79 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.547 -0.461 . . . . 0.8 110.415 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 21.4 mm-40 -65.97 -45.73 80.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 2.32 110.268 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.2 mm? -59.0 -41.16 87.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.07 -0.513 . . . . 0.6 110.489 175.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -63.79 -53.25 39.18 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.56 -0.746 . . . . 0.41 112.09 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 65.4 t30 -64.41 -31.17 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.178 0.513 . . . . 1.27 110.461 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.13 -50.46 71.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.763 -0.653 . . . . 0.93 110.384 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.55 94.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.636 -0.711 . . . . 0.58 110.097 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 72.7 t80 -53.62 -41.01 66.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.888 -1.051 . . . . 0.68 110.702 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 65.6 mttm -73.6 -15.97 61.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 1.62 111.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -106.6 14.87 26.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.549 -0.296 . . . . 2.31 111.056 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 62.66 16.46 8.91 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.223 -0.444 . . . . 2.39 111.612 -176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 2.0 m-20 -86.2 58.41 5.04 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.666 -0.864 . . . . 1.62 108.666 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' O ' HG11 ' A' ' 57' ' ' VAL . 79.4 m-85 -60.74 -39.66 89.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.745 . . . . 0.71 112.434 -170.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.542 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 m-20 -62.39 -47.08 85.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.112 0.482 . . . . 1.93 110.227 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 86.1 m -65.87 -38.34 88.54 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.534 -0.757 . . . . 0.57 110.829 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.403 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.86 -54.29 48.77 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.383 0.611 . . . . 0.39 110.172 175.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -59.59 -28.82 67.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.572 -1.195 . . . . 0.81 110.225 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -71.72 -45.38 61.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.47 -0.786 . . . . 1.41 111.189 -178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.7 m-70 -74.02 -32.48 63.37 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.675 -0.41 . . . . 0.47 109.922 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 53' ' ' ASN . 6.6 m-30 -61.37 -41.8 97.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.94 -0.573 . . . . 0.48 109.679 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.69 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 38.7 t70 -64.63 -41.61 96.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.272 -0.876 . . . . 1.51 110.208 175.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.592 ' O ' HD13 ' A' ' 43' ' ' LEU . 21.4 tptm -63.02 -44.98 94.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.092 -0.958 . . . . 1.25 110.244 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.69 -34.38 74.26 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.272 -0.422 . . . . 0.26 110.699 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG12 ' A' ' 51' ' ' ILE . 60.1 tttm -69.55 -34.61 74.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 1.37 110.563 175.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -71.4 -32.0 67.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.239 0.542 . . . . 2.78 109.681 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.8 mp -78.12 -47.11 18.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.49 110.947 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' OD2' ' HG2' ' A' ' 11' ' ' LYS . 13.5 t70 -139.0 95.52 9.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.283 0.563 . . . . 1.11 111.166 172.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.92 -5.28 15.78 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 123.337 2.691 . . . . 0.64 112.759 -178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -94.14 -7.43 42.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.314 0.578 . . . . 0.46 110.715 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.581 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.8 t30 -91.74 92.65 8.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.383 -0.826 . . . . 2.13 109.257 175.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.749 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 18.9 ptm -55.09 -28.26 51.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.537 -0.756 . . . . 1.05 111.745 -174.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.581 ' HB ' HD21 ' A' ' 47' ' ' ASN . 9.6 m -56.21 -40.02 73.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.136 -0.483 . . . . 0.71 111.358 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.577 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 19.1 m-85 -65.0 -36.49 84.58 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.636 0.731 . . . . 0.44 109.914 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.4 mt -74.79 -41.48 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 114.839 -1.073 . . . . 0.33 110.786 -177.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.7 p -65.8 -29.63 70.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 0.28 110.321 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -68.89 -41.95 77.59 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.727 -0.67 . . . . 1.59 109.717 174.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 70.4 mt-30 -54.59 -52.07 63.31 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.506 0.67 . . . . 1.34 110.334 173.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -56.83 -36.99 70.61 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.716 -1.129 . . . . 0.3 111.273 -178.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.56 81.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.3 111.272 178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 34' ' ' LEU . 24.5 t -68.05 -45.0 84.28 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 C-N-CA 120.791 -0.364 . . . . 0.33 110.361 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.513 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 67.2 m-85 -57.08 -35.28 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.826 0.346 . . . . 0.38 110.461 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 97' ' ' ASN . 35.3 t80 -59.85 -40.47 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.741 -0.663 . . . . 0.56 109.725 174.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -78.35 -21.38 49.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.513 -0.767 . . . . 1.42 110.802 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 39.8 mtmt -83.95 -16.75 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.85 -0.614 . . . . 1.1 111.108 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.24 -3.68 56.84 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.828 -0.701 . . . . 0.36 111.728 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.06 75.71 5.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.965 0.412 . . . . 1.26 110.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -68.04 -34.95 77.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.144 -0.48 . . . . 0.43 110.263 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -59.77 -42.86 94.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.881 -0.599 . . . . 2.18 110.922 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 57.4 tptt -73.3 -32.27 64.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.573 -0.285 . . . . 0.68 110.902 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.85 -45.63 91.82 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.272 -0.64 . . . . 1.29 109.272 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.822 ' HG2' HG23 ' A' ' 95' ' ' ILE . 3.0 tmm_? -61.14 -48.42 81.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 3.39 109.357 173.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -50.6 -53.96 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.762 -1.108 . . . . 2.08 111.65 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 64.4 mt -75.51 -33.72 60.76 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.809 0.67 . . . . 0.24 112.809 -173.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.573 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.9 m -62.93 -47.48 83.05 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.413 -0.515 . . . . 1.1 111.086 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 95' ' ' ILE . 3.4 mt-10 -65.18 -29.44 70.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 2.09 110.875 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 2.4 tpmt? -68.84 -48.11 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 1.23 109.55 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -61.38 -40.12 93.15 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 115.474 -0.785 . . . . 0.19 110.391 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.749 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 36.8 mt -63.23 -42.58 96.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.537 -0.301 . . . . 0.23 110.557 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.1 -48.24 82.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.621 -0.511 . . . . 2.35 109.621 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.44 -46.88 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.231 -0.895 . . . . 0.25 111.645 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.31 -48.43 52.12 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.705 -0.68 . . . . 0.27 112.208 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -64.77 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.189 0.518 . . . . 2.63 109.631 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.16 -51.71 62.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.202 -0.908 . . . . 1.96 110.724 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -86.55 11.59 12.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.396 -0.82 . . . . 1.35 111.471 -174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 56.89 42.94 25.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.609 0.719 . . . . 4.67 110.423 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.8 tp10 -83.37 166.1 18.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 1.6 110.688 -175.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.551 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 35.0 t70 -50.2 106.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.445 -0.798 . . . . 0.82 111.682 179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -65.61 -18.41 65.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.067 0.461 . . . . 0.44 110.777 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.7 mtm180 -63.25 -37.44 87.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.653 -0.499 . . . . 3.04 109.653 177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.489 HE21 HG23 ' A' ' 49' ' ' THR . 12.4 mm100 -65.99 -42.44 89.79 Favored 'General case' 0 CA--C 1.522 -0.128 0 O-C-N 123.546 0.528 . . . . 1.46 110.382 171.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.609 HG13 ' SD ' ' A' ' 48' ' ' MET . 18.2 mt -54.91 -42.31 62.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.693 -0.685 . . . . 0.25 111.391 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.59 -40.49 97.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.762 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 25.5 mmmt -68.78 -30.34 68.91 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.368 -0.605 . . . . 1.26 109.368 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.2 -48.93 73.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.521 -0.763 . . . . 0.23 109.765 172.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -55.89 -40.26 72.75 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.048 -0.524 . . . . 0.24 111.187 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.05 -36.9 78.21 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.151 -0.477 . . . . 0.26 111.237 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -70.96 -34.74 71.74 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.845 -0.342 . . . . 1.5 110.09 175.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.822 HG23 ' HG2' ' A' ' 68' ' ' ARG . 70.3 mt -58.03 -53.03 51.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.248 -0.649 . . . . 0.28 109.248 171.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.66 -37.11 94.23 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.825 -0.702 . . . . 0.23 112.317 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 6.2 m-80 -69.34 -37.34 77.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.8 -0.235 . . . . 1.64 111.414 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 86.3 p -61.75 -43.53 98.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.496 -0.557 . . . . 0.94 109.496 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 39.1 m-85 -64.22 -42.8 96.43 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.678 -0.692 . . . . 0.43 110.301 174.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' HB2' ' OH ' ' A' ' 112' ' ' TYR . 90.7 t80 -55.7 -44.07 77.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.363 -0.835 . . . . 0.43 111.072 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -72.38 -30.69 64.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.177 -0.465 . . . . 0.74 110.86 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 1.7 pt-20 -91.91 -1.23 57.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.408 -0.36 . . . . 0.57 111.584 -173.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 79.44 23.26 0.51 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.968 0.793 . . . . 1.47 111.521 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 88.0 mttt -101.22 60.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.141 0.496 . . . . 1.89 110.1 172.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.566 ' HB2' HD13 ' A' ' 135' ' ' LEU . 68.7 m-85 -64.35 -26.11 68.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.46 111.953 -175.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -59.05 -47.48 85.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.249 0.547 . . . . 1.57 109.71 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.11 -28.24 42.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.67 110.67 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -58.51 -56.73 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.067 0.46 . . . . 0.22 110.029 178.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 131' ' ' ALA . 7.0 mm -60.91 -34.86 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.145 -0.934 . . . . 0.51 111.162 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -54.25 -56.72 15.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.929 -0.578 . . . . 0.44 110.188 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -79.02 -20.48 48.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.821 -0.627 . . . . 0.32 111.281 -176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' ' 100' ' ' PHE . 6.2 m-30 -59.35 -57.52 12.64 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.123 -0.325 . . . . 0.32 110.123 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -61.29 -25.53 67.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 1.77 110.841 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 9.9 mmtm -69.5 -32.05 70.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 1.25 110.592 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.602 ' HB3' HG11 ' A' ' 124' ' ' VAL . 47.9 t -71.43 -45.56 62.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.15 -0.685 . . . . 1.04 109.15 173.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.9 -28.7 62.27 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.963 -0.562 . . . . 0.38 109.761 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -68.42 -46.01 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.25 -0.886 . . . . 0.41 111.495 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -86.02 -49.91 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.407 . . . . 0.53 111.279 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.714 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 6.0 t-160 -149.74 98.01 2.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.096 -0.502 . . . . 0.5 109.877 -175.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.76 122.48 14.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.643 -0.708 . . . . 2.87 110.839 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.546 ' HB ' ' OD1' ' A' ' 123' ' ' ASP . 1.1 p -139.46 136.62 17.94 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 121.549 0.69 . . . . 0.62 111.166 179.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -46.84 -31.93 11.64 Favored 'Trans proline' 0 C--N 1.342 0.229 1 C-N-CA 125.337 4.024 . . . . 0.76 114.262 -178.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.546 ' OD1' ' HB ' ' A' ' 121' ' ' THR . 6.7 p-10 -72.05 -43.4 64.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.672 0.249 . . . . 2.2 111.672 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 115' ' ' SER . 2.3 t -76.16 -27.29 17.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.213 -0.595 . . . . 0.35 109.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.53 -47.25 70.45 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.489 -0.93 . . . . 0.61 108.489 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -58.41 -42.52 87.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.071 -0.968 . . . . 2.04 110.711 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -69.62 -42.83 73.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.371 -0.832 . . . . 1.48 111.979 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 50.3 t -64.95 -33.88 77.09 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.043 0.449 . . . . 0.91 110.403 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -71.58 -42.47 67.74 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 1.38 109.977 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 133' ' ' LYS . 44.9 tp60 -63.4 -54.58 34.58 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.941 -0.572 . . . . 1.72 110.873 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.57 ' HB3' HD11 ' A' ' 109' ' ' ILE . . . -60.92 -31.66 71.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.919 -0.312 . . . . 0.29 111.263 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' N ' HD11 ' A' ' 109' ' ' ILE . 28.4 tt0 -71.52 -47.82 52.77 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 120.543 -0.463 . . . . 2.04 110.345 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 130' ' ' GLN . 0.0 OUTLIER -65.87 -33.43 75.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.678 0.275 . . . . 1.9 110.523 176.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 130' ' ' GLN . 52.9 mt -67.03 -49.73 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.185 0.517 . . . . 0.48 110.41 177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 105' ' ' TYR . 37.6 tp -66.16 -27.86 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 1.37 110.606 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.0 tttm -64.69 -33.99 77.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 3.36 110.137 176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -72.03 -26.59 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.996 -0.547 . . . . 2.28 110.746 175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -74.69 -20.79 59.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.775 -0.648 . . . . 1.75 110.978 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.627 -0.701 . . . . 2.99 110.834 179.563 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.538 ' OE1' ' HB2' ' A' ' 11' ' ' LYS . 9.3 pt-20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.284 0.564 . . . . 3.26 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.48 ' HB3' ' HG ' ' A' ' 43' ' ' LEU . 94.1 m-20 -84.38 -21.69 30.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.009 -0.541 . . . . 1.94 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.538 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 67.7 mmtt -57.17 -58.56 7.69 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.855 0.359 . . . . 2.19 111.585 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.28 -43.79 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.035 0.445 . . . . 2.83 110.682 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.713 ' HB3' HD23 ' A' ' 43' ' ' LEU . 4.2 tt0 -61.76 -32.46 72.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.752 -0.658 . . . . 2.26 110.868 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.554 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.96 -35.42 78.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.46 110.574 178.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 41.4 mt -63.98 -39.19 93.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.91 0.386 . . . . 1.98 110.07 175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -66.49 -43.34 85.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.738 -0.665 . . . . 2.88 109.795 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 49.5 mm-40 -63.12 -36.36 83.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.067 -0.515 . . . . 0.54 111.61 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 50' ' ' TYR . 22.0 ttpp -67.16 -38.5 85.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.245 -0.582 . . . . 0.8 109.977 176.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 51.6 mt-10 -64.71 -42.96 94.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 2.32 110.487 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.18 -42.25 96.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.951 -0.568 . . . . 0.6 110.729 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.49 -49.14 76.52 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.775 -0.648 . . . . 0.41 111.72 175.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 56.8 t30 -66.33 -33.26 75.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 1.27 110.753 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.75 -44.9 88.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.918 -0.583 . . . . 0.93 110.537 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.68 89.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.499 0.666 . . . . 0.58 109.763 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 83.9 t80 -55.78 -39.06 70.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.75 -1.113 . . . . 0.68 111.11 177.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mttt -72.63 -18.26 61.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.941 -0.572 . . . . 1.62 111.475 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -107.34 16.03 24.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.471 -0.331 . . . . 2.31 111.388 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 62.3 mttm 65.1 14.89 9.68 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.142 -0.481 . . . . 2.39 111.94 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 5.2 m-20 -86.36 63.53 8.05 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.327 -0.99 . . . . 1.62 108.327 170.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 82.6 m-85 -66.08 -37.12 85.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.71 112.189 -169.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.547 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 17.7 m-20 -66.8 -41.86 86.88 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.455 -0.498 . . . . 1.93 109.762 178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 45.5 m -66.11 -37.57 86.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.584 -0.735 . . . . 0.57 110.404 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 25' ' ' TYR . . . -59.89 -56.56 20.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.693 -0.685 . . . . 0.39 110.423 175.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.746 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -60.76 -24.55 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.94 . . . . 0.81 110.353 -179.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -70.74 -48.08 56.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 1.41 110.873 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.4 m-70 -75.68 -27.31 58.22 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 120.502 -0.479 . . . . 0.47 110.201 177.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 12.0 m-30 -64.58 -39.54 93.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.435 -0.58 . . . . 0.48 109.435 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.631 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 37.6 t70 -64.38 -44.61 90.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.316 -0.856 . . . . 1.51 109.795 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.1 tptm -59.56 -47.63 84.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.825 . . . . 1.25 110.319 177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.95 -33.93 75.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.436 -0.347 . . . . 0.26 110.569 178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -74.3 -26.82 60.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.03 0.443 . . . . 1.37 110.783 177.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 50.8 mm-40 -77.19 -35.79 55.46 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.955 0.407 . . . . 2.78 109.946 174.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.7 mp -70.77 -42.61 70.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.693 -0.685 . . . . 0.49 110.321 176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 49.3 t0 -139.91 88.79 11.74 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.184 -0.462 . . . . 1.11 111.323 177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.93 -7.88 20.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.889 2.393 . . . . 0.64 112.417 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.1 p -101.77 9.06 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.023 0.44 . . . . 0.46 110.98 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.526 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.3 t30 -103.85 105.85 16.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 2.13 109.547 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.579 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 2.4 ppp? -58.74 -33.57 70.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.35 -0.841 . . . . 1.05 110.977 -172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.526 ' HB ' HD21 ' A' ' 47' ' ' ASN . 30.4 m -63.11 -31.48 72.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.71 112.028 -173.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.4 m-85 -72.9 -35.31 67.07 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.06 -0.656 . . . . 0.44 109.995 -178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.647 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 68.9 mt -72.68 -36.04 52.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.959 -1.018 . . . . 0.33 110.436 -177.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 74' ' ' ALA . 44.1 p -72.75 -32.96 66.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.28 110.536 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.44 -40.18 96.45 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.781 -0.451 . . . . 1.59 109.781 172.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.631 ' NE2' ' HA ' ' A' ' 38' ' ' ASP . 53.5 mt-30 -55.82 -53.03 61.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.441 0.639 . . . . 1.34 110.427 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -55.39 -41.08 72.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.572 -1.195 . . . . 0.3 111.284 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.73 -36.08 69.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.769 -0.651 . . . . 0.3 111.374 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG11 ' HB2' ' A' ' 34' ' ' LEU . 47.6 t -69.16 -46.59 77.61 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 C-N-CA 120.778 -0.369 . . . . 0.33 110.522 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HA ' ' HB2' ' A' ' 61' ' ' LYS . 72.5 m-85 -56.7 -37.39 70.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.816 0.341 . . . . 0.38 110.333 177.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -57.3 -46.78 82.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.56 109.921 175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.21 -28.24 63.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.667 -0.697 . . . . 1.42 110.902 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 43.5 mtmt -74.66 -22.71 58.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.176 -0.92 . . . . 1.1 111.059 -178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 105.39 0.37 40.55 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.36 112.028 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.36 79.49 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.647 -0.501 . . . . 1.26 109.647 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -71.04 -23.88 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.172 -0.467 . . . . 0.43 110.542 -176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 16.3 m120 -65.6 -47.05 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 2.18 110.284 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.546 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 53.0 tptt -68.27 -33.88 75.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.308 -0.405 . . . . 0.68 111.114 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.1 t -62.42 -46.73 87.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.5 -0.318 . . . . 1.29 110.654 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.449 ' HB2' HG23 ' A' ' 95' ' ' ILE . 2.7 ppt_? -71.52 -25.2 62.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.39 110.147 176.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 11.0 tp10 -62.88 -58.06 8.67 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.605 -0.725 . . . . 2.08 110.595 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 88.2 mt -70.43 -38.57 74.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.366 -0.834 . . . . 0.24 112.265 -174.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' ILE . 92.4 m -60.43 -45.85 92.16 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.728 -0.389 . . . . 1.1 111.586 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' HG2' HD13 ' A' ' 95' ' ' ILE . 1.8 mm-40 -61.86 -36.49 81.4 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.67 0.271 . . . . 2.09 110.6 178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 73' ' ' LYS . 10.3 tppt? -66.9 -50.57 62.01 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 110.008 -0.367 . . . . 1.23 110.008 175.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -55.99 -43.63 77.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.817 0.341 . . . . 0.19 110.129 178.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 71' ' ' CYS . 35.2 mt -61.41 -41.85 91.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.23 110.582 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.93 -47.74 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.702 -0.481 . . . . 2.35 109.702 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 42.5 t -61.55 -46.34 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.093 -0.958 . . . . 0.25 111.348 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.71 -38.83 60.92 Favored Glycine 0 C--O 1.217 -0.94 0 C-N-CA 120.975 -0.631 . . . . 0.27 112.388 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -72.78 -19.86 61.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.653 0.74 . . . . 2.63 109.273 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.8 tt0 -72.86 -53.1 12.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.755 -1.112 . . . . 1.96 110.758 173.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.87 5.99 50.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.038 -0.983 . . . . 1.35 111.532 -173.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 63.71 52.74 2.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.151 -0.932 . . . . 4.67 111.638 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.527 ' OE2' ' HG3' ' A' ' 48' ' ' MET . 30.5 tt0 -87.64 168.25 13.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.492 -0.776 . . . . 1.6 109.481 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.555 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 17.5 t70 -47.36 113.44 0.69 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 122.939 0.496 . . . . 0.82 112.174 -176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 17.2 p90 -74.49 -22.62 58.99 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.032 0.444 . . . . 0.44 110.85 -178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 82.4 mtm180 -64.56 -38.68 91.86 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.901 -0.777 . . . . 3.04 108.901 176.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -66.62 -39.17 88.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.206 -1.361 . . . . 1.46 110.15 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.504 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.0 mt -59.5 -40.4 81.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 0.25 111.188 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.694 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.3 -36.81 83.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.485 -0.325 . . . . 0.24 110.549 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.64 -30.98 69.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.576 -0.527 . . . . 1.26 109.576 177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -67.98 -44.77 75.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.688 -0.687 . . . . 0.23 110.164 174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 111' ' ' PHE . 26.7 m-85 -58.26 -40.85 82.92 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.151 -0.477 . . . . 0.24 110.699 175.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -64.62 -38.39 90.82 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.571 -0.741 . . . . 0.26 110.69 179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 94' ' ' ARG . 52.6 mtt180 -67.81 -41.14 83.57 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.043 -0.263 . . . . 1.5 110.518 176.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 91' ' ' ALA . 81.2 mt -56.85 -56.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.89 -0.411 . . . . 0.28 109.89 175.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.22 -34.5 89.34 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.461 -0.791 . . . . 0.23 112.198 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 48.2 t30 -71.68 -31.14 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.714 0.292 . . . . 1.64 110.733 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.3 m -64.56 -47.71 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.557 -0.534 . . . . 0.94 109.557 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.504 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.8 m-85 -62.66 -37.48 86.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.43 110.288 175.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -57.98 -38.53 76.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.451 -0.795 . . . . 0.43 110.586 177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 32.0 mmmt -77.07 -29.51 55.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.483 -0.326 . . . . 0.74 111.129 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -94.59 4.12 54.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.57 111.373 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 75.36 14.55 2.94 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.578 0.751 . . . . 1.47 112.423 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.3 mttm -89.38 59.53 4.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.609 -0.515 . . . . 1.89 109.609 172.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 69.3 m-85 -63.0 -25.8 68.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.46 111.696 -174.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -59.73 -45.35 92.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.154 0.502 . . . . 1.57 109.751 175.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -77.33 -32.17 55.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.758 . . . . 0.67 110.303 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 105' ' ' TYR . . . -55.42 -60.57 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.988 -0.551 . . . . 0.22 110.264 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.557 HG23 ' SG ' ' A' ' 128' ' ' CYS . 12.2 mt -59.14 -34.68 54.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 0.51 111.238 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -55.05 -61.24 2.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.44 110.238 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.554 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 93.2 m-85 -75.7 -20.62 58.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.026 -0.534 . . . . 0.32 111.163 -176.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.488 ' CD1' HG13 ' A' ' 124' ' ' VAL . 5.1 m-85 -60.64 -54.77 41.29 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.313 -0.625 . . . . 0.32 109.313 169.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.437 ' HA ' HD23 ' A' ' 116' ' ' LEU . 20.5 t-20 -58.36 -29.95 66.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 1.77 110.58 177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.554 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 44.6 mmtt -66.67 -34.24 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.87 -0.605 . . . . 1.25 110.714 175.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.604 ' HB3' HG11 ' A' ' 124' ' ' VAL . 48.0 t -69.97 -42.18 73.47 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.235 -0.654 . . . . 1.04 109.235 175.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 113' ' ' ASN . 2.3 mm? -59.18 -29.53 67.52 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.314 0.578 . . . . 0.38 109.592 172.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -69.68 -35.81 75.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.203 -0.908 . . . . 0.41 111.628 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -96.19 -50.03 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.836 0.351 . . . . 0.53 111.747 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.694 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.4 t-160 -146.62 98.16 3.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.313 0.578 . . . . 0.5 110.174 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -61.19 108.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.805 -1.088 . . . . 2.87 111.385 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 19.1 p -126.01 137.16 29.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.7 0.762 . . . . 0.62 111.166 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_endo -49.19 -38.43 41.12 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 125.003 3.802 . . . . 0.76 113.778 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 25.4 t70 -64.27 -51.65 62.54 Favored 'General case' 0 C--O 1.218 -0.558 0 O-C-N 123.151 0.282 . . . . 2.2 111.344 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 115' ' ' SER . 21.6 t -68.57 -31.09 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 0.35 110.311 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.25 -49.89 72.35 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.651 -0.87 . . . . 0.61 108.651 173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 123' ' ' ASP . 32.0 tttp -51.45 -46.75 63.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.627 -1.169 . . . . 2.04 111.004 172.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 123' ' ' ASP . 13.4 mmmm -75.7 -35.52 60.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.838 -1.073 . . . . 1.48 112.009 -173.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.557 ' SG ' HG23 ' A' ' 109' ' ' ILE . 50.3 t -67.27 -44.58 78.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.226 -0.443 . . . . 0.91 110.032 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.8 -34.48 78.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.38 110.168 177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 8.5 tt0 -66.13 -53.37 38.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.756 -0.656 . . . . 1.72 110.674 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.91 -32.19 71.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.762 0.315 . . . . 0.29 111.199 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -69.42 -42.41 75.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 2.04 110.506 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 18.5 ptmt -75.57 -33.56 60.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 1.9 110.237 178.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.643 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 60.9 mt -62.18 -51.61 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.48 110.107 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 105' ' ' TYR . 35.9 tp -64.42 -25.23 67.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 1.37 110.5 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -66.27 -29.56 69.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.815 -0.629 . . . . 3.36 110.468 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -90.41 -25.62 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.053 -0.521 . . . . 2.28 110.832 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 83.6 mm-40 -71.66 -31.51 66.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 1.75 111.4 -176.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.456 -0.783 . . . . 2.99 110.68 178.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 9.3 tp10 . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.315 0.579 . . . . 3.26 110.422 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 13' ' ' GLN . 25.1 p30 -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 114.797 -1.092 . . . . 1.94 112.713 -173.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 9' ' ' GLU . 93.1 mttt -62.06 -47.35 85.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.955 0.407 . . . . 2.19 110.648 178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -73.12 -37.13 66.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 2.83 110.233 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 1.1 mp0 -64.1 -35.15 79.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.695 -0.684 . . . . 2.26 110.713 176.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.37 -34.78 75.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.81 -0.632 . . . . 0.46 110.58 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 19' ' ' GLU . 2.0 tm? -63.21 -42.64 99.33 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.094 -0.706 . . . . 1.98 109.094 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG2' HD23 ' A' ' 20' ' ' LEU . 65.1 tttp -68.1 -39.76 82.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 2.88 110.709 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' HG3' ' A' ' 39' ' ' LYS . 50.5 mm-40 -61.85 -34.38 75.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.598 0.237 . . . . 0.54 110.669 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CD1' ' A' ' 50' ' ' TYR . 25.2 ttpp -64.83 -39.1 93.03 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.641 -0.503 . . . . 0.8 109.641 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 44.4 mt-10 -68.17 -42.39 80.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 2.32 110.903 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 3.2 mm? -62.93 -43.41 98.86 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.326 -0.397 . . . . 0.6 110.755 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -64.83 -50.08 60.16 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 111.146 -0.782 . . . . 0.41 111.146 175.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.603 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 26.5 t-20 -57.86 -34.88 70.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.168 0.509 . . . . 1.27 111.441 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.07 -51.56 60.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.827 -0.624 . . . . 0.93 110.901 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.39 72.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.58 110.241 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.587 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 63.1 t80 -56.45 -41.89 77.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.988 -1.006 . . . . 0.68 110.712 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 2.2 mptp? -68.09 -31.03 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 1.62 111.271 177.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.65 17.58 10.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.916 -0.583 . . . . 2.31 111.795 -172.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 48.5 mtmt 57.06 19.08 4.43 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.179 0.514 . . . . 2.39 111.862 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 42.3 m-20 -90.86 58.68 3.9 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 108.418 -0.956 . . . . 1.62 108.418 174.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 28' ' ' LYS . 86.5 m-85 -62.19 -34.09 75.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.71 112.362 -169.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 4.0 p30 -64.65 -41.01 96.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.234 0.54 . . . . 1.93 109.929 175.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 41.3 m -74.53 -36.37 63.16 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.561 -0.745 . . . . 0.57 109.977 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.503 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.78 -58.66 7.39 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.331 -0.849 . . . . 0.39 109.961 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' HB2' HG11 ' A' ' 57' ' ' VAL . 1.4 tm? -58.78 -33.02 69.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 114.782 -1.099 . . . . 0.81 110.265 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -62.83 -48.81 77.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 1.41 111.247 -177.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.473 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.0 m-70 -74.36 -32.59 62.82 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.606 -0.438 . . . . 0.47 110.287 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.57 ' OH ' ' HA ' ' A' ' 22' ' ' ASN . 7.5 m-85 -59.85 -42.35 93.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 0.48 109.687 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.01 -38.99 86.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.885 -1.052 . . . . 1.51 109.878 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' O ' HD13 ' A' ' 43' ' ' LEU . 22.6 tptm -60.84 -45.11 95.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.298 -0.865 . . . . 1.25 109.814 175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.06 -29.49 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.04 -0.527 . . . . 0.26 110.735 178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' CB ' HE22 ' A' ' 54' ' ' GLN . 56.2 tttm -79.3 -30.46 42.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.065 0.459 . . . . 1.37 110.665 176.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.37 -35.22 73.4 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.015 -0.735 . . . . 2.78 109.015 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 39' ' ' LYS . 10.2 mp -74.79 -52.6 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.052 -0.977 . . . . 0.49 110.34 176.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.494 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 32.6 t0 -132.9 94.95 19.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 121.048 0.451 . . . . 1.11 111.293 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 -15.54 20.33 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.962 2.441 . . . . 0.64 113.064 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 80.5 p -87.8 -17.61 31.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.473 . . . . 0.46 110.769 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.549 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.5 t30 -82.18 92.84 6.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.393 -0.595 . . . . 2.13 109.393 176.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.721 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.0 ptm -56.88 -25.76 57.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.975 -1.011 . . . . 1.05 112.596 -173.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.549 ' HB ' HD21 ' A' ' 47' ' ' ASN . 18.4 m -59.53 -31.26 69.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.378 . . . . 0.71 111.375 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.529 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 20.1 m-85 -70.99 -32.25 69.02 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.302 0.572 . . . . 0.44 109.718 -179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.58 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.4 mt -78.81 -40.27 23.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.016 -0.993 . . . . 0.33 110.92 -176.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.8 p -68.3 -33.22 73.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.075 0.464 . . . . 0.28 110.618 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 5.5 m-20 -72.39 -32.28 66.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.643 -0.708 . . . . 1.59 110.126 177.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.567 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 72.8 mt-30 -61.1 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.409 0.623 . . . . 1.34 110.031 171.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -54.64 -36.64 64.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.705 -1.134 . . . . 0.3 110.941 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.41 84.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.551 -0.75 . . . . 0.3 111.456 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 34' ' ' LEU . 31.6 t -63.53 -46.35 95.29 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.518 0 N-CA-C 110.08 -0.341 . . . . 0.33 110.08 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 69.6 m-85 -58.08 -35.39 71.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.38 110.66 179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' CZ ' ' HG2' ' A' ' 101' ' ' LYS . 2.7 t80 -60.2 -45.29 93.68 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.377 -0.601 . . . . 0.56 109.377 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.46 -28.86 68.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 1.42 110.599 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 40.4 mtmt -78.58 -21.18 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.268 -0.878 . . . . 1.1 111.519 -178.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.51 4.65 55.99 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.889 -0.672 . . . . 0.36 111.706 -176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -96.82 72.3 2.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.009 0.433 . . . . 1.26 110.411 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -69.37 -26.27 64.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.43 110.943 -175.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.38 -43.43 70.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.443 -0.344 . . . . 2.18 110.457 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.5 tptt -67.95 -32.65 73.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.68 110.609 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.7 t -58.64 -46.1 87.86 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.845 -0.798 . . . . 1.29 108.845 173.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.662 ' HA ' ' SG ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -59.95 -40.17 88.09 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.582 -0.735 . . . . 3.39 110.315 176.106 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 26.9 mm-40 -55.35 -50.5 69.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.395 -0.82 . . . . 2.08 111.575 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 78.8 mt -83.32 -34.38 25.69 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.508 0.558 . . . . 0.24 112.508 -169.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.662 ' SG ' ' HA ' ' A' ' 68' ' ' ARG . 4.6 p -60.08 -56.64 19.2 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 121.069 -0.253 . . . . 1.1 111.363 -178.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -26.61 66.35 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.714 -0.394 . . . . 2.09 110.967 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -62.47 -54.52 38.79 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.458 -0.571 . . . . 1.23 109.458 170.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.04 -46.28 78.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.503 -0.771 . . . . 0.19 110.663 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.721 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 43.2 mt -61.78 -42.06 93.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.23 110.969 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.36 -44.03 97.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.119 0.485 . . . . 2.35 109.881 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 40.0 t -62.8 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.161 -0.927 . . . . 0.25 111.805 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -73.78 -43.57 34.78 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.27 112.539 -177.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -64.96 -25.77 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.449 0.642 . . . . 2.63 109.804 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 5.2 tp10 -65.98 -53.7 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.236 -0.893 . . . . 1.96 110.82 173.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -96.61 15.7 20.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.133 -0.939 . . . . 1.35 111.441 -167.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.0 42.37 7.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.776 -0.647 . . . . 4.67 111.432 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.2 tp10 -83.03 166.49 18.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.778 -0.646 . . . . 1.6 109.923 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' GLN . 37.1 t70 -50.34 107.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.713 0.633 . . . . 0.82 111.789 -178.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.503 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.9 p90 -70.77 -21.82 62.46 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.31 0.576 . . . . 0.44 110.226 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 83.2 mtm180 -63.51 -40.76 97.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.581 -0.736 . . . . 3.04 109.169 175.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 56.3 tp60 -65.28 -39.63 92.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.651 -1.159 . . . . 1.46 110.204 172.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 12.4 mt -58.49 -41.61 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.897 -0.592 . . . . 0.25 111.32 175.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.662 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -62.7 -37.43 86.46 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 120.973 0.416 . . . . 0.24 110.518 177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 1.5 mmmp? -69.61 -30.01 67.66 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.615 -0.513 . . . . 1.26 109.615 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.64 -48.84 73.35 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.828 -0.623 . . . . 0.23 109.601 172.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.759 ' CE1' ' HG2' ' A' ' 114' ' ' LYS . 18.8 m-85 -53.74 -43.58 69.21 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 115.835 -0.62 . . . . 0.24 111.449 176.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.06 72.12 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.006 -0.543 . . . . 0.26 110.917 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.0 mtt-85 -68.72 -42.45 77.64 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.967 -0.383 . . . . 1.5 109.967 174.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.568 HG12 ' SG ' ' A' ' 71' ' ' CYS . 1.4 mt -61.27 -52.42 61.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 CA-C-O 121.266 0.555 . . . . 0.28 109.529 178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -60.68 -36.85 92.49 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 115.082 -0.963 . . . . 0.23 111.786 178.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 100' ' ' PHE . 12.2 t30 -75.13 -26.29 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.785 -0.244 . . . . 1.64 110.979 -179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -64.72 -47.28 78.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.18 -0.674 . . . . 0.94 109.18 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 58.1 m-85 -65.28 -43.43 91.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.298 -0.864 . . . . 0.43 110.528 176.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.404 ' HB3' ' HA ' ' A' ' 97' ' ' ASN . 66.7 t80 -55.55 -44.46 76.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.57 -0.741 . . . . 0.43 110.417 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 59' ' ' PHE . 18.0 tppt? -74.28 -22.45 59.29 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.3 -0.864 . . . . 0.74 111.741 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.5 pt-20 -103.52 1.64 32.55 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.643 0.258 . . . . 0.57 111.663 -175.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 74.22 33.07 0.94 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.453 0.701 . . . . 1.47 111.418 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 76.6 mttt -110.68 58.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.489 0.662 . . . . 1.89 109.218 169.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.539 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 71.7 m-85 -59.94 -29.42 68.39 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.212 -0.904 . . . . 0.46 113.288 -172.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.68 -45.84 92.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.349 0.595 . . . . 1.57 109.988 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -76.62 -26.83 55.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.545 -0.752 . . . . 0.67 110.293 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -57.88 -56.28 24.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.22 109.864 175.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.551 HG23 ' SG ' ' A' ' 128' ' ' CYS . 18.7 mt -62.46 -30.42 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.181 -0.918 . . . . 0.51 111.477 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.667 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 85.1 t60 -57.39 -62.84 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.002 0.429 . . . . 0.44 110.438 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.567 ' HA ' ' CB ' ' A' ' 114' ' ' LYS . 87.8 m-85 -70.98 -19.18 62.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.427 -0.806 . . . . 0.32 111.603 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 4.3 m-30 -66.4 -61.43 2.01 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.774 -0.37 . . . . 0.32 110.928 173.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.463 ' HA ' HD23 ' A' ' 116' ' ' LEU . 3.5 t-20 -61.51 -25.59 67.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.945 0.879 . . . . 1.77 109.23 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.759 ' HG2' ' CE1' ' A' ' 92' ' ' TYR . 7.8 tptp -63.87 -38.75 92.23 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.836 -1.529 . . . . 1.25 110.695 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.623 ' HB3' HG11 ' A' ' 124' ' ' VAL . 41.8 t -69.02 -43.76 74.11 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.256 -0.646 . . . . 1.04 109.256 175.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.483 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.7 mm? -57.56 -27.76 62.96 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.265 0.555 . . . . 0.38 109.642 173.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -72.69 -34.01 66.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.216 -0.902 . . . . 0.41 111.469 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -93.03 -50.42 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.53 111.176 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.662 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 8.9 t-160 -145.61 98.65 3.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.318 0.58 . . . . 0.5 109.7 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.483 ' HG3' HD12 ' A' ' 116' ' ' LEU . 38.2 ttm180 -56.99 109.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.8 -1.091 . . . . 2.87 111.092 -178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 3.2 p -130.13 133.3 24.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 121.823 0.82 . . . . 0.62 111.487 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 9.5 Cg_endo -49.12 -41.73 40.51 Favored 'Trans proline' 0 C--N 1.343 0.268 1 C-N-CA 125.391 4.06 . . . . 0.76 114.631 -177.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.65 -42.17 82.64 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.483 0.179 . . . . 2.2 111.483 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 115' ' ' SER . 4.8 t -71.54 -35.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.215 -0.594 . . . . 0.35 109.58 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.35 -46.88 88.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.199 -0.667 . . . . 0.61 109.199 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -57.12 -50.27 73.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.02 -0.991 . . . . 2.04 110.609 174.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 11.1 mptt -61.66 -39.63 92.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.457 -0.792 . . . . 1.48 111.968 -179.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' A' ' 109' ' ' ILE . 48.7 t -65.46 -44.51 87.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.991 -0.549 . . . . 0.91 110.137 -176.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.3 -36.2 83.34 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.273 0.559 . . . . 1.38 109.801 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 134' ' ' ILE . 46.9 tp60 -63.76 -47.7 79.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.101 -0.954 . . . . 1.72 110.968 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.39 96.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.277 0.473 . . . . 0.29 112.277 -174.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 128' ' ' CYS . 4.7 pt-20 -71.0 -35.57 72.12 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.57 -0.452 . . . . 2.04 111.33 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 22.0 ptmt -73.28 -34.9 66.04 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.555 -0.458 . . . . 1.9 109.822 176.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 130' ' ' GLN . 23.0 mt -61.51 -47.0 95.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.48 110.504 175.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.1 mt -57.89 -34.59 69.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.04 -0.527 . . . . 1.37 111.141 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 21.4 tptp -72.34 -28.73 63.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.946 0.403 . . . . 3.36 110.616 179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -73.31 -22.7 60.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.239 0.543 . . . . 2.28 110.135 176.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.83 -24.15 48.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.4 -0.818 . . . . 1.75 110.421 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 8.0 pt-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.872 -0.604 . . . . 2.99 110.389 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.669 ' HG2' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 109.401 -0.592 . . . . 3.26 109.401 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 85.9 m-20 -65.41 -30.02 70.78 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 120.622 -0.431 . . . . 1.94 111.14 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 37.6 mtpt -58.8 -54.3 48.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.649 0.262 . . . . 2.19 111.348 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.507 ' HG2' ' OE1' ' A' ' 9' ' ' GLU . 34.7 mmtp -63.77 -40.81 97.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 2.83 110.584 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.704 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.1 tt0 -63.07 -30.86 71.92 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.956 -0.565 . . . . 2.26 110.643 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -63.42 -36.89 85.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.46 110.526 178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 15' ' ' LEU . 2.1 tm? -65.67 -40.37 92.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.495 -0.928 . . . . 1.98 108.495 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' HD23 ' A' ' 20' ' ' LEU . 78.2 tttt -60.15 -49.89 75.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.229 -0.896 . . . . 2.88 110.588 175.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.56 -32.73 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.54 111.585 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -66.18 -43.05 88.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.928 -0.397 . . . . 0.8 109.928 175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 59.5 mt-10 -65.73 -45.8 81.29 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.32 110.791 177.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.483 HD23 ' HG2' ' A' ' 16' ' ' LYS . 3.6 mm? -57.34 -40.94 79.05 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.6 110.426 178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -67.93 -53.85 20.95 Favored Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 119.994 -1.098 . . . . 0.41 111.508 176.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.514 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -55.69 -31.21 62.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.985 0.422 . . . . 1.27 111.592 178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -68.02 -50.42 55.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.064 0.459 . . . . 0.93 110.215 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.03 79.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.967 174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 67.7 t80 -56.57 -42.9 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.967 -1.015 . . . . 0.68 110.357 177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 85.2 mttt -69.84 -28.53 65.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.37 -0.832 . . . . 1.62 111.287 179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -93.86 14.85 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 2.31 111.437 -177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.4 mttm 59.31 19.47 7.65 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.13 -0.486 . . . . 2.39 111.978 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 21.9 m-20 -87.59 59.35 5.41 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.213 -1.032 . . . . 1.62 108.213 172.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.427 ' O ' HG11 ' A' ' 57' ' ' VAL . 81.2 m-85 -61.3 -39.73 91.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.225 -0.898 . . . . 0.71 112.573 -168.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 2.0 p-10 -65.65 -42.01 91.92 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.582 -0.847 . . . . 1.93 109.835 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 89.6 m -64.33 -38.25 90.38 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.426 0.631 . . . . 0.57 110.129 178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.599 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -64.49 -49.49 71.13 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 115.316 -0.857 . . . . 0.39 110.578 176.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -62.72 -36.19 82.19 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.921 -0.581 . . . . 0.81 109.512 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -56.95 -50.58 72.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.426 -0.806 . . . . 1.41 109.946 174.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 36.8 m-70 -67.14 -42.87 83.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.47 111.506 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 5.4 m-85 -63.38 -46.7 85.26 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.512 -0.767 . . . . 0.48 111.108 -178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.641 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 0.5 OUTLIER -60.64 -33.67 73.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.14 0.495 . . . . 1.51 110.401 175.099 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.566 ' HE3' HD11 ' A' ' 43' ' ' LEU . 50.0 tptt -64.67 -43.52 93.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.465 -0.788 . . . . 1.25 110.217 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.03 72.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.392 . . . . 0.26 110.8 178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 45' ' ' PRO . 27.2 tptp -67.37 -35.94 80.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.095 0.474 . . . . 1.37 110.684 175.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -72.58 -23.71 61.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 2.78 110.514 177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.1 mp -84.13 -39.99 18.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.766 -0.652 . . . . 0.49 110.279 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -136.02 106.56 9.61 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-O 121.19 0.519 . . . . 1.11 111.223 173.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HA ' ' HD2' ' A' ' 41' ' ' LYS . 76.8 Cg_endo -75.46 -13.18 20.56 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 123.271 2.647 . . . . 0.64 113.722 -177.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.9 p -103.81 -14.85 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.327 0.492 . . . . 0.46 112.327 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.617 HD21 ' HB ' ' A' ' 49' ' ' THR . 6.7 t30 -79.17 91.27 4.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.137 0.494 . . . . 2.13 109.802 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 74' ' ' ALA . 3.3 ppp? -52.01 -30.91 27.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.987 -1.006 . . . . 1.05 111.335 -177.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.617 ' HB ' HD21 ' A' ' 47' ' ' ASN . 37.0 m -62.8 -27.57 69.4 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.209 -0.905 . . . . 0.71 111.988 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 22.2 m-85 -71.54 -41.83 68.66 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 109.265 -0.642 . . . . 0.44 109.265 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.725 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 62.1 mt -65.67 -42.52 92.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.886 -1.052 . . . . 0.33 111.627 -176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 HG23 ' CB ' ' A' ' 74' ' ' ALA . 59.3 p -65.93 -29.95 70.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.171 0.51 . . . . 0.28 110.818 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.699 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 18.1 m-80 -79.84 -31.12 40.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.841 -0.618 . . . . 1.59 111.121 177.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.681 ' HG3' ' O ' ' A' ' 50' ' ' TYR . 15.0 mt-30 -58.74 -48.39 81.36 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.174 -1.047 . . . . 1.34 108.174 170.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -57.94 -38.64 76.31 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.959 -1.473 . . . . 0.3 111.094 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.87 -34.12 69.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.3 111.321 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 34' ' ' LEU . 30.7 t -68.1 -46.93 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 120.568 -0.453 . . . . 0.33 110.219 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.599 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 57.3 m-85 -55.36 -38.38 68.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.472 -0.331 . . . . 0.38 110.624 178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.67 -46.68 70.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.654 -0.703 . . . . 0.56 110.103 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.29 -27.46 59.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.737 -0.665 . . . . 1.42 111.193 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 39.2 mtmt -72.54 -15.45 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 1.1 111.327 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.71 5.06 56.82 Favored Glycine 0 C--N 1.333 0.363 0 N-CA-C 111.549 -0.62 . . . . 0.36 111.549 -177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.65 75.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.139 0.495 . . . . 1.26 110.666 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -71.98 -25.39 61.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.918 -0.583 . . . . 0.43 110.383 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -68.84 -46.94 67.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 2.18 110.623 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 54.4 tptt -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.68 110.671 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.414 ' SG ' ' HG2' ' A' ' 94' ' ' ARG . 42.3 t -58.51 -45.66 88.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.315 0.579 . . . . 1.29 109.471 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.528 ' HG2' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.194 -0.912 . . . . 3.39 110.231 174.525 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.0 -56.43 22.15 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.5 -0.773 . . . . 2.08 111.366 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.6 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 70.0 mt -70.14 -38.38 75.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.68 . . . . 0.24 112.344 -173.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.489 ' O ' HG13 ' A' ' 75' ' ' ILE . 94.0 m -61.76 -46.39 89.81 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.522 -0.471 . . . . 1.1 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.9 -38.17 81.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.326 . . . . 2.09 110.699 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -64.69 -47.73 77.3 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.272 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.725 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -59.19 -41.51 88.7 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.19 110.324 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 71' ' ' CYS . 26.2 mt -63.45 -41.17 91.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.092 -0.504 . . . . 0.23 110.579 177.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.94 -48.96 79.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.388 -0.597 . . . . 2.35 109.388 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -46.11 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.215 -0.902 . . . . 0.25 111.21 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.22 61.6 Favored Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.175 -0.536 . . . . 0.27 112.55 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -66.67 -25.81 66.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.617 0.722 . . . . 2.63 109.491 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -71.87 -53.23 13.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.052 -0.977 . . . . 1.96 110.816 174.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -86.39 9.48 17.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.791 -0.641 . . . . 1.35 111.844 -173.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 60.37 40.53 17.36 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.417 0.627 . . . . 4.67 110.722 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.45 168.01 18.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.061 -0.972 . . . . 1.6 110.343 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.65 112.85 0.55 Allowed 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.447 0.467 . . . . 0.82 112.187 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 28.9 p90 -71.91 -22.92 61.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.158 0.504 . . . . 0.44 109.799 176.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 77.3 mtt180 -65.99 -35.12 79.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.856 -0.611 . . . . 3.04 109.568 176.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.41 -42.81 87.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.504 -0.771 . . . . 1.46 109.643 171.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 24.3 mt -57.85 -41.04 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.928 -1.033 . . . . 0.25 111.62 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.694 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -64.72 -34.72 78.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.701 0.286 . . . . 0.24 110.736 177.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 14.1 mmmm -70.79 -34.75 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.537 -0.542 . . . . 1.26 109.537 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -64.85 -43.78 91.89 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.575 -0.739 . . . . 0.23 109.995 174.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.25 -45.63 92.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.175 -0.466 . . . . 0.24 110.709 175.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -61.84 -35.28 77.79 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.775 -0.648 . . . . 0.26 110.617 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG2' ' SG ' ' A' ' 67' ' ' CYS . 32.6 ttm180 -75.9 -36.41 59.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 1.5 110.486 178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 91' ' ' ALA . 78.9 mt -59.96 -51.28 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.462 -0.57 . . . . 0.28 109.462 172.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -64.54 -34.88 91.08 Favored Glycine 0 N--CA 1.44 -1.091 0 CA-C-N 115.402 -0.817 . . . . 0.23 111.907 177.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.593 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 66.0 t30 -66.29 -35.0 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 1.64 110.303 178.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 m -62.14 -48.6 79.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.94 109.811 175.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 50.8 m-85 -61.74 -40.21 94.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.446 -0.797 . . . . 0.43 110.473 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.69 -38.93 76.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.062 -0.972 . . . . 0.43 110.656 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 2.4 mmmp? -75.76 -31.79 59.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.263 -0.426 . . . . 0.74 110.897 178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.0 pt-20 -92.16 1.6 57.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.57 111.521 -172.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 21.5 tt0 79.81 13.86 0.98 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.718 0.807 . . . . 1.47 111.815 176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.537 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 55.6 mttm -92.92 59.68 3.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.566 0.698 . . . . 1.89 109.956 173.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.561 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 66.4 m-85 -61.63 -28.91 69.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.185 -0.916 . . . . 0.46 111.845 -176.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.56 -43.67 93.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.168 0.509 . . . . 1.57 110.14 177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.91 -30.38 44.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.78 -0.645 . . . . 0.67 110.165 178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -56.23 -61.11 2.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.0 -0.546 . . . . 0.22 110.06 176.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.577 HG23 ' SG ' ' A' ' 128' ' ' CYS . 11.6 mt -59.95 -35.87 63.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.51 111.116 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -54.49 -57.16 12.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.44 110.468 177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.541 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 82.2 m-85 -74.8 -24.62 58.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.141 -0.482 . . . . 0.32 111.246 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 11.3 m-30 -62.09 -49.72 74.82 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 110.02 -0.363 . . . . 0.32 110.02 172.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.36 -28.17 69.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 1.77 109.845 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' HG3' ' HA ' ' A' ' 111' ' ' PHE . 15.5 mmtt -71.72 -30.07 65.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.667 -0.697 . . . . 1.25 110.346 173.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.669 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -69.75 -47.2 63.88 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.302 -0.999 . . . . 1.04 108.302 175.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.466 HD12 ' HG3' ' A' ' 120' ' ' ARG . 2.3 mm? -57.25 -34.38 68.55 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.257 -0.883 . . . . 0.38 109.904 173.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -60.74 -36.99 80.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.968 -1.015 . . . . 0.41 111.362 -178.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -97.65 -49.96 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.815 0.302 . . . . 0.53 111.815 -176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.694 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 9.7 t-160 -145.75 98.12 3.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.441 0.638 . . . . 0.5 109.837 -175.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.466 ' HG3' HD12 ' A' ' 116' ' ' LEU . 33.7 ttp180 -71.27 116.01 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.12 -0.945 . . . . 2.87 111.052 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 4.4 p -141.53 139.42 18.7 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.384 -0.826 . . . . 0.62 110.689 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 121' ' ' THR . 4.9 Cg_endo -44.53 -34.14 7.43 Favored 'Trans proline' 0 C--O 1.223 -0.228 1 C-N-CA 125.497 4.132 . . . . 0.76 114.301 -177.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -65.28 -48.76 72.08 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.723 0.268 . . . . 2.2 111.723 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.7 t -74.83 -32.01 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.186 -0.605 . . . . 0.35 109.957 -178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.37 -44.5 96.32 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.762 -0.829 . . . . 0.61 108.762 175.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -58.16 -51.36 70.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.642 -1.163 . . . . 2.04 110.655 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 9.3 mptt -60.4 -41.55 94.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.543 -0.753 . . . . 1.48 111.725 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.577 ' SG ' HG23 ' A' ' 109' ' ' ILE . 49.9 t -62.89 -44.4 96.19 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.826 -0.625 . . . . 0.91 110.3 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -70.56 -36.09 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.158 -0.473 . . . . 1.38 110.455 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 20.1 tp60 -59.37 -54.34 47.88 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.095 -0.502 . . . . 1.72 110.373 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.95 -35.36 79.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.29 111.362 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -66.83 -47.23 72.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 2.04 110.143 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 130' ' ' GLN . 15.4 ptmt -71.67 -32.29 67.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.49 -0.323 . . . . 1.9 110.472 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 130' ' ' GLN . 45.0 mt -60.59 -52.85 56.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.48 109.971 173.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.561 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 2.4 mt -58.08 -36.77 73.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.754 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -64.18 -28.99 70.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.543 -0.753 . . . . 3.36 111.098 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.22 -21.07 24.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.478 . . . . 2.28 110.835 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 21.2 mm-40 -81.13 -37.68 28.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.564 . . . . 1.75 111.408 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 6.0 pt-20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 119.051 -0.5 . . . . 2.99 111.207 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.559 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 15.1 tt0 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.834 -0.432 . . . . 3.26 109.834 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.559 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 2.7 m-20 -64.85 -35.07 79.95 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 122.189 0.196 . . . . 1.94 111.418 -172.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -62.65 -40.91 98.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.29 0.567 . . . . 2.19 110.735 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -68.12 -43.42 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 2.83 109.979 175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.638 ' HB3' HD23 ' A' ' 43' ' ' LEU . 30.4 tt0 -63.31 -27.73 69.53 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.841 -0.618 . . . . 2.26 110.8 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -61.66 -37.3 83.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.46 110.396 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 12.1 mt -62.4 -40.91 98.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 1.98 110.209 173.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -63.96 -43.36 96.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.878 -0.601 . . . . 2.88 110.026 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 36' ' ' HIS . 47.3 mm-40 -63.66 -38.87 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.54 111.325 177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 28.0 ttpt -63.22 -41.45 99.13 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.949 -0.389 . . . . 0.8 109.949 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.5 mm-40 -67.72 -41.79 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 2.32 111.183 178.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' CG ' ' A' ' 36' ' ' HIS . 2.2 mm? -63.41 -39.54 94.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.816 0.341 . . . . 0.6 110.713 178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 33' ' ' ALA . . . -65.84 -53.69 29.4 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.587 -0.816 . . . . 0.41 111.297 174.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.578 ' O ' ' HB3' ' A' ' 25' ' ' TYR . 66.2 t30 -56.07 -36.03 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.24 0.543 . . . . 1.27 111.059 178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -52.81 63.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.976 -0.556 . . . . 0.93 110.522 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.42 75.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.266 0.555 . . . . 0.58 110.238 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 31.8 t80 -54.81 -40.24 69.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.12 -0.946 . . . . 0.68 110.632 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 22' ' ' ASN . 6.0 mptp? -67.21 -27.14 67.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.773 -0.649 . . . . 1.62 111.798 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -98.83 18.25 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.173 -0.211 . . . . 2.31 111.106 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 mttp 61.33 17.02 7.9 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.197 0.522 . . . . 2.39 111.676 -178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.433 ' HB3' ' HB ' ' A' ' 32' ' ' THR . 3.5 m-20 -85.07 57.62 4.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.909 -0.774 . . . . 1.62 108.909 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE1' ' HG3' ' A' ' 60' ' ' GLU . 73.0 m-85 -61.32 -34.53 75.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.403 -0.817 . . . . 0.71 112.56 -170.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.502 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 6.3 p-10 -63.14 -47.24 83.55 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.167 0.508 . . . . 1.93 110.222 175.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 32.7 m -67.6 -36.44 80.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.588 -0.733 . . . . 0.57 109.969 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -58.53 -56.59 20.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.336 -0.847 . . . . 0.39 110.27 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -62.51 -29.8 70.82 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.94 -1.027 . . . . 0.81 110.431 -178.331 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 31' ' ' ASP . 2.3 tppt? -60.65 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.659 -0.7 . . . . 1.41 110.788 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 97.3 m-70 -76.61 -34.54 58.37 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.534 -0.303 . . . . 0.47 110.609 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.684 ' CE1' ' HB3' ' A' ' 53' ' ' ASN . 10.7 m-85 -58.78 -44.18 90.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.253 0.549 . . . . 0.48 109.925 174.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' HA ' ' NE2' ' A' ' 54' ' ' GLN . 7.5 t70 -63.63 -41.17 98.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 1.51 109.851 176.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' HD13 ' A' ' 43' ' ' LEU . 23.0 tptm -61.02 -42.69 98.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.203 -0.908 . . . . 1.25 110.195 176.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.67 -28.32 69.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.33 -0.395 . . . . 0.26 111.039 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.529 ' HB2' ' NE2' ' A' ' 54' ' ' GLN . 62.9 tttm -78.3 -29.51 47.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.418 0.628 . . . . 1.37 110.219 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -71.35 -32.41 68.5 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.738 -0.838 . . . . 2.78 108.738 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 13' ' ' GLN . 9.6 mp -80.79 -46.23 15.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.02 -0.991 . . . . 0.49 111.125 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.477 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 8.1 t0 -138.15 94.04 11.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.041 0.448 . . . . 1.11 110.729 175.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.39 -13.44 20.62 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.976 2.451 . . . . 0.64 113.129 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.3 p -89.37 -18.12 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.156 0.503 . . . . 0.46 111.052 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.58 HD21 ' HB ' ' A' ' 49' ' ' THR . 8.2 t30 -78.74 92.14 4.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.352 -0.611 . . . . 2.13 109.352 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.787 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 18.6 ptm -53.23 -28.6 28.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.1 -0.954 . . . . 1.05 111.708 -174.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.58 ' HB ' HD21 ' A' ' 47' ' ' ASN . 8.9 m -56.16 -40.95 74.68 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.047 -0.524 . . . . 0.71 111.347 -177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.2 m-85 -63.91 -38.27 90.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.388 0.614 . . . . 0.44 110.149 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.613 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 67.7 mt -71.45 -41.71 73.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 114.907 -1.042 . . . . 0.33 110.747 -177.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.8 p -69.0 -33.96 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.28 111.245 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.684 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.1 m120 -72.7 -33.11 66.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.163 -0.472 . . . . 1.59 110.244 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.581 ' CG ' ' HB3' ' A' ' 37' ' ' TYR . 69.0 mt-30 -57.34 -50.16 73.84 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 121.815 0.817 . . . . 1.34 109.727 170.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -58.23 -29.04 65.42 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.287 -1.324 . . . . 0.3 111.474 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 94' ' ' ARG . . . -67.74 -32.82 73.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.311 -0.404 . . . . 0.3 111.065 177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.693 HG11 ' HB2' ' A' ' 34' ' ' LEU . 38.0 t -68.71 -45.67 80.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 C-N-CA 120.65 -0.42 . . . . 0.33 110.546 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' CE1' ' HG2' ' A' ' 66' ' ' LYS . 81.8 m-85 -57.67 -30.39 65.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.964 0.411 . . . . 0.38 110.232 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -66.63 -32.71 74.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.793 -0.64 . . . . 0.56 110.141 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 44.6 mm-40 -81.19 -34.71 32.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.725 . . . . 1.42 109.952 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 35.5 mtmt -65.91 -27.01 67.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.954 -1.021 . . . . 1.1 111.311 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.31 7.97 55.46 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.36 111.584 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.91 63.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.547 -0.538 . . . . 1.26 109.547 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 75.9 m-85 -61.38 -25.92 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.43 111.5 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -62.98 -35.59 80.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.068 -0.515 . . . . 2.18 110.246 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.583 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 55.5 tptt -81.49 -33.25 32.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.265 -0.425 . . . . 0.68 111.25 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 64' ' ' TYR . 1.6 m -61.81 -43.68 98.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.902 0.382 . . . . 1.29 110.314 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' HG23 ' A' ' 95' ' ' ILE . 2.8 ppt_? -71.31 -28.01 63.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 3.39 109.969 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 66' ' ' LYS . 12.0 tp10 -63.42 -57.67 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.498 -0.774 . . . . 2.08 110.658 178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 73.9 mt -68.78 -42.68 77.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.75 -0.659 . . . . 0.24 112.437 -173.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.554 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.1 m -57.6 -47.73 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.898 -0.321 . . . . 1.1 111.328 -177.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -40.91 89.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.934 0.397 . . . . 2.09 111.083 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.51 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -65.01 -47.91 75.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 1.23 109.707 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.613 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -56.88 -42.17 79.34 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.19 110.441 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.787 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 41.4 mt -63.06 -43.45 99.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.968 -0.56 . . . . 0.23 110.994 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.31 -42.12 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.18 0.514 . . . . 2.35 110.248 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 80' ' ' GLU . 53.0 t -65.18 -48.12 84.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.183 -0.917 . . . . 0.25 111.462 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -69.46 -42.2 74.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.007 -0.616 . . . . 0.27 112.095 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -65.58 -26.35 67.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.324 0.583 . . . . 2.63 109.738 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 7.0 tt0 -69.53 -54.58 13.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.38 -0.827 . . . . 1.96 110.984 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -87.39 12.18 12.73 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.686 -1.143 . . . . 1.35 111.303 -170.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 61.8 42.32 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.427 -0.806 . . . . 4.67 110.544 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 9.3 tp10 -84.85 166.33 16.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.218 -0.901 . . . . 1.6 110.128 -178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 21.5 t70 -49.44 113.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.658 0.599 . . . . 0.82 111.942 -177.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 10.6 p90 -76.36 -21.29 56.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.112 0.482 . . . . 0.44 110.625 -178.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 90' ' ' LYS . 60.2 mtt180 -65.75 -40.54 92.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.939 -0.763 . . . . 3.04 108.939 176.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -62.24 -37.97 87.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.692 -1.14 . . . . 1.46 110.243 171.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 13.9 mt -62.0 -42.12 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.67 176.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.687 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.66 -33.64 76.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.873 0.368 . . . . 0.24 110.709 178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 29.6 mmmt -72.88 -28.84 62.73 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.356 -0.609 . . . . 1.26 109.356 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -69.82 -45.38 68.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.451 -0.795 . . . . 0.23 109.925 174.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HB3' ' OG ' ' A' ' 115' ' ' SER . 21.0 m-85 -57.92 -46.39 85.06 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.122 -0.49 . . . . 0.24 110.605 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.86 85.35 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.528 -0.76 . . . . 0.26 110.551 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' ALA . 40.3 ttm-85 -68.86 -39.7 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.942 -0.392 . . . . 1.5 109.942 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' ALA . 93.1 mt -56.56 -53.25 43.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.309 0 CA-C-O 121.235 0.54 . . . . 0.28 109.679 173.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.15 -38.87 96.86 Favored Glycine 0 N--CA 1.438 -1.21 0 CA-C-N 115.127 -0.942 . . . . 0.23 112.316 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.63 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 10.6 m-80 -65.06 -34.39 78.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.851 0.326 . . . . 1.64 110.823 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.56 ' OG ' ' HB2' ' A' ' 67' ' ' CYS . 46.1 m -61.77 -49.2 77.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.014 0.435 . . . . 0.94 109.921 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 55.1 m-85 -63.04 -37.93 89.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.605 -0.725 . . . . 0.43 110.635 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -60.06 -38.51 83.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.434 -0.803 . . . . 0.43 110.543 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.7 mmmt -75.07 -28.21 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.365 -0.38 . . . . 0.74 110.771 178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 3.6 pt-20 -96.11 1.16 52.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.387 . . . . 0.57 111.425 -174.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 73.28 27.24 1.96 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.666 -0.697 . . . . 1.47 111.413 177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 34.7 mtpt -102.71 56.07 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.353 0.596 . . . . 1.89 109.399 172.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HA ' ' HB3' ' A' ' 108' ' ' ALA . 73.4 m-85 -61.01 -27.41 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.386 -0.825 . . . . 0.46 112.074 -173.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -59.26 -42.11 90.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.201 0.524 . . . . 1.57 109.727 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.08 -33.25 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.631 -0.713 . . . . 0.67 110.322 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -53.3 -58.19 7.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.431 . . . . 0.22 110.457 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.544 HG23 ' SG ' ' A' ' 128' ' ' CYS . 15.0 mt -62.03 -36.2 72.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.568 -0.742 . . . . 0.51 111.483 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -53.0 -56.81 13.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.014 0.435 . . . . 0.44 110.162 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 95.3 m-85 -74.76 -25.36 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.834 -0.621 . . . . 0.32 111.208 -176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 10.2 m-30 -62.03 -50.75 70.77 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 120.522 0.201 . . . . 0.32 110.495 173.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -60.62 -29.25 69.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.212 0.53 . . . . 1.77 109.725 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 9.3 mmtm -70.74 -30.78 67.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.587 -0.733 . . . . 1.25 110.535 172.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.654 ' HB2' HG11 ' A' ' 124' ' ' VAL . 0.9 OUTLIER -68.06 -45.69 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.296 -1.001 . . . . 1.04 108.296 175.188 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.517 HD12 ' HG3' ' A' ' 120' ' ' ARG . 1.9 mm? -58.99 -36.24 74.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.267 -0.879 . . . . 0.38 110.065 173.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -57.5 -45.82 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.222 -0.899 . . . . 0.41 111.411 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -86.71 -49.62 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.24 -0.436 . . . . 0.53 111.806 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.687 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 10.8 t-160 -147.88 97.72 2.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.197 0.522 . . . . 0.5 110.274 -175.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.517 ' HG3' HD12 ' A' ' 116' ' ' LEU . 39.8 ttm180 -60.92 115.8 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.097 -0.956 . . . . 2.87 110.766 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.1 p -140.11 144.97 39.95 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.89 -0.596 . . . . 0.62 110.866 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 13.4 Cg_exo -65.48 -27.43 54.32 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.527 2.818 . . . . 0.76 113.208 -170.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.29 -44.88 86.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 116.576 -0.284 . . . . 2.2 110.75 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 115' ' ' SER . 2.4 t -78.83 -33.34 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 119.944 -0.703 . . . . 0.35 110.028 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.75 -44.2 97.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.755 -0.831 . . . . 0.61 108.755 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -56.56 -53.07 61.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.061 -0.972 . . . . 2.04 110.512 173.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -61.79 -40.29 94.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.202 -0.908 . . . . 1.48 111.987 -177.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.544 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.4 t -63.92 -50.46 68.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.104 -0.498 . . . . 0.91 110.313 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -65.96 -35.4 80.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 1.38 110.558 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 133' ' ' LYS . 6.6 tp-100 -60.11 -55.97 27.39 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.201 -0.454 . . . . 1.72 110.19 178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.65 -36.28 76.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.965 0.412 . . . . 0.29 111.282 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.16 -43.72 70.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.873 -0.603 . . . . 2.04 110.62 -177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 21.0 ptmt -72.97 -32.52 65.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.397 -0.365 . . . . 1.9 110.298 178.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.576 ' O ' ' HG3' ' A' ' 138' ' ' GLN . 43.5 mt -61.75 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.48 110.303 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 4.9 mt -60.79 -30.14 69.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 1.37 110.41 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -71.0 -28.31 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 3.36 110.777 177.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 133' ' ' LYS . 50.2 mt-10 -85.27 -16.64 39.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.96 0.41 . . . . 2.28 110.625 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 134' ' ' ILE . 28.2 mt-30 -75.88 -34.05 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.965 -0.561 . . . . 1.75 110.673 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.263 -0.875 . . . . 2.99 110.514 177.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.513 ' HG2' ' H ' ' A' ' 10' ' ' ASN . 13.6 tt0 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 109.309 -0.626 . . . . 3.26 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.609 ' O ' ' HB3' ' A' ' 43' ' ' LEU . 28.7 p-10 -57.47 -40.27 78.16 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 112.463 0.542 . . . . 1.94 112.463 -172.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -58.45 -50.12 74.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.128 0.489 . . . . 2.19 111.174 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.41 -40.53 89.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.394 . . . . 2.83 110.694 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.754 ' HB3' HD23 ' A' ' 43' ' ' LEU . 41.2 tt0 -64.08 -28.81 70.04 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.504 -0.316 . . . . 2.26 110.651 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' CE2' ' A' ' 50' ' ' TYR . . . -60.88 -39.14 88.09 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.46 110.324 176.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.84 -40.65 89.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.292 -0.632 . . . . 1.98 109.292 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -67.43 -44.92 77.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.682 -0.69 . . . . 2.88 110.361 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -60.29 -34.66 74.07 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.451 -0.34 . . . . 0.54 111.229 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 26.8 ttpp -64.86 -41.22 95.85 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 120.654 0.264 . . . . 0.8 110.48 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.85 -35.83 75.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.439 -0.346 . . . . 2.32 110.806 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.75 -41.6 91.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.225 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 36' ' ' HIS . . . -62.15 -51.56 55.89 Favored Glycine 0 C--O 1.222 -0.627 0 N-CA-C 111.151 -0.78 . . . . 0.41 111.151 173.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.611 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 28.8 t-20 -60.94 -35.19 76.09 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.077 0.465 . . . . 1.27 111.954 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -64.81 -49.16 71.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.111 -0.495 . . . . 0.93 110.447 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 29' ' ' ASP . . . -62.59 -39.49 93.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.431 -0.804 . . . . 0.58 109.727 175.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 88.1 t80 -53.53 -36.75 62.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.389 -1.278 . . . . 0.68 111.207 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HE3' ' OD1' ' A' ' 22' ' ' ASN . 97.1 mttt -70.04 -36.33 74.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.536 -0.756 . . . . 1.62 112.03 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -97.66 30.04 3.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.822 0.344 . . . . 2.31 111.193 -176.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 57.81 20.26 6.39 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 2.39 112.241 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 42.2 m-20 -84.36 56.72 3.91 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.005 -1.109 . . . . 1.62 108.005 171.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' O ' HG11 ' A' ' 57' ' ' VAL . 58.2 m-85 -62.3 -38.92 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 0.71 112.215 -169.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.608 ' O ' ' HE3' ' A' ' 35' ' ' LYS . 8.4 m-20 -63.86 -45.18 90.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.356 -0.538 . . . . 1.93 109.818 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 29' ' ' ASP . 27.5 m -63.15 -40.81 98.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.57 110.5 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HA ' ' HA2' ' A' ' 21' ' ' GLY . . . -57.72 -58.84 6.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.509 -0.769 . . . . 0.39 110.562 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 58' ' ' TYR . 1.1 tt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.697 -1.138 . . . . 0.81 109.999 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HE3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.88 -48.13 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.394 -0.821 . . . . 1.41 110.765 -179.545 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 21' ' ' GLY . 97.3 m-70 -74.63 -35.55 62.9 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.716 -0.394 . . . . 0.47 110.158 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.491 ' HB3' ' HG2' ' A' ' 54' ' ' GLN . 8.7 m-85 -58.97 -44.58 91.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.021 0.439 . . . . 0.48 110.264 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.687 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 28.4 t70 -64.6 -36.95 85.9 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.576 -0.738 . . . . 1.51 110.014 178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 43' ' ' LEU . 58.1 tptt -60.15 -47.3 86.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.424 -0.807 . . . . 1.25 109.559 173.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.62 73.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.975 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -68.66 -27.0 65.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.129 0.49 . . . . 1.37 110.873 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -77.01 -32.05 56.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.485 0.66 . . . . 2.78 109.398 175.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 13' ' ' GLN . 10.4 mp -79.56 -32.15 42.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.436 -0.802 . . . . 0.49 110.619 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' HB3' ' HE2' ' A' ' 50' ' ' TYR . 6.2 t70 -151.26 93.63 3.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.904 0.383 . . . . 1.11 111.005 172.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.35 -18.27 23.33 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.864 2.376 . . . . 0.64 112.46 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.8 p -86.0 -11.49 52.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.46 111.074 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.532 HD21 ' HB ' ' A' ' 49' ' ' THR . 7.2 t30 -86.92 90.26 8.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.064 -0.717 . . . . 2.13 109.064 174.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.808 ' HE3' ' HA ' ' A' ' 75' ' ' ILE . 22.7 ptm -53.76 -28.3 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.153 -0.93 . . . . 1.05 112.051 -173.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.532 ' HB ' HD21 ' A' ' 47' ' ' ASN . 18.8 m -55.08 -42.83 73.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.222 -0.445 . . . . 0.71 111.433 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CE2' ' HB1' ' A' ' 14' ' ' ALA . 21.4 m-85 -61.54 -42.85 99.44 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.579 0.704 . . . . 0.44 109.913 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 mt -66.7 -42.55 89.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.75 -1.114 . . . . 0.33 110.949 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.5 p -67.68 -25.29 65.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.903 0.382 . . . . 0.28 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 10.4 m120 -74.56 -38.66 62.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 1.59 110.283 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.687 ' OE1' ' HA ' ' A' ' 38' ' ' ASP . 12.9 mt-30 -59.75 -44.3 93.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.487 0.661 . . . . 1.34 109.446 173.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 70' ' ' LEU . . . -59.57 -38.27 80.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.873 -1.058 . . . . 0.3 110.857 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.33 -29.82 70.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.861 -0.609 . . . . 0.3 110.665 176.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.694 HG12 ' HD3' ' A' ' 61' ' ' LYS . 45.0 t -72.05 -45.9 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 116.232 -0.44 . . . . 0.33 110.691 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.681 ' CE2' HD11 ' A' ' 34' ' ' LEU . 74.4 m-85 -57.16 -34.92 68.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.886 0.375 . . . . 0.38 110.354 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -60.03 -44.33 94.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.752 -0.658 . . . . 0.56 110.665 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.76 -37.42 65.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.596 0.712 . . . . 1.42 110.554 177.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' HD3' HG12 ' A' ' 57' ' ' VAL . 5.3 mtpp -65.54 -26.84 68.06 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.649 -1.16 . . . . 1.1 111.75 -178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 -3.56 31.14 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.821 -0.705 . . . . 0.36 112.282 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 58' ' ' TYR . 22.9 m-20 -90.89 75.65 6.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.016 0.436 . . . . 1.26 110.018 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -67.8 -36.41 80.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.43 111.428 -173.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -64.97 -39.18 93.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.714 0.292 . . . . 2.18 110.858 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.612 ' HG2' ' CE1' ' A' ' 58' ' ' TYR . 56.1 tptt -67.18 -31.95 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.68 110.759 178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.4 t -60.16 -44.4 95.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.717 -0.475 . . . . 1.29 109.717 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -45.43 90.84 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.309 -0.405 . . . . 3.39 109.944 173.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -50.27 -52.67 34.36 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.214 -0.903 . . . . 2.08 111.381 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 55' ' ' ALA . 74.5 mt -76.95 -36.29 56.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.977 -0.556 . . . . 0.24 112.08 -175.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.526 ' O ' HG13 ' A' ' 75' ' ' ILE . 98.9 m -62.27 -47.18 85.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.518 -0.473 . . . . 1.1 111.014 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG3' HD13 ' A' ' 95' ' ' ILE . 2.3 mt-10 -65.98 -34.22 77.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.973 -0.291 . . . . 2.09 110.879 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 1.1 tpmt? -63.07 -50.05 72.09 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.887 -0.412 . . . . 1.23 109.887 174.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 51' ' ' ILE . . . -60.34 -42.41 95.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.19 110.644 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.808 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 35.8 mt -62.57 -42.7 96.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.678 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -57.93 -45.42 86.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 2.35 109.606 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.77 -48.66 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.985 -1.007 . . . . 0.25 111.682 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' HA3' ' SD ' ' A' ' 48' ' ' MET . . . -68.4 -46.31 64.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.249 -0.501 . . . . 0.27 112.39 -177.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -60.77 -31.29 70.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.362 0.601 . . . . 2.63 109.557 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.38 -51.77 22.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.088 -0.96 . . . . 1.96 110.922 176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -87.06 13.34 9.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.658 -0.701 . . . . 1.35 111.937 -171.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? 60.86 47.48 7.7 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.981 -0.554 . . . . 4.67 110.626 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' HG2' ' HG2' ' A' ' 48' ' ' MET . 8.7 tp10 -94.14 166.53 12.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.674 -0.694 . . . . 1.6 110.526 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.563 ' OD2' ' HB2' ' A' ' 86' ' ' ARG . 26.0 t70 -47.75 108.57 0.16 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.835 0.854 . . . . 0.82 111.884 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' HA ' ' HB ' ' A' ' 88' ' ' ILE . 11.1 p90 -69.45 -21.48 63.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.152 0.501 . . . . 0.44 110.806 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.563 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 71.0 mtm180 -65.18 -46.11 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.902 -0.777 . . . . 3.04 108.902 177.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -58.54 -39.6 80.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.33 -1.305 . . . . 1.46 110.1 172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 85' ' ' TYR . 12.6 mt -58.8 -44.23 89.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 115.699 -0.682 . . . . 0.25 111.267 174.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.676 ' CB ' ' HB3' ' A' ' 119' ' ' HIS . . . -63.3 -36.96 85.41 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.414 -0.357 . . . . 0.24 110.628 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 86' ' ' ARG . 28.5 mmmt -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.375 -0.602 . . . . 1.26 109.375 176.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 95' ' ' ILE . . . -65.76 -44.61 85.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.636 -0.711 . . . . 0.23 110.339 174.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -58.58 -40.24 82.59 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 120.944 0.402 . . . . 0.24 110.909 175.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 97' ' ' ASN . . . -65.66 -35.9 82.13 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.839 -0.618 . . . . 0.26 110.881 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -70.62 -37.95 73.88 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 121.111 -0.236 . . . . 1.5 110.435 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 91' ' ' ALA . 76.2 mt -57.52 -56.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.534 -0.543 . . . . 0.28 109.534 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 108' ' ' ALA . . . -62.2 -31.28 78.49 Favored Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.537 -0.839 . . . . 0.23 112.042 177.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.607 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 1.3 t-20 -71.31 -36.71 71.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.499 0.19 . . . . 1.64 110.76 -178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -65.08 -43.51 91.93 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.795 -0.446 . . . . 0.94 109.795 177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 52.4 m-85 -62.43 -41.64 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.789 -0.641 . . . . 0.43 110.001 174.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -57.07 -37.41 71.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.926 -1.034 . . . . 0.43 110.98 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 97' ' ' ASN . 31.4 mmmt -81.35 -24.62 36.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.512 -0.313 . . . . 0.74 111.017 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 99' ' ' TYR . 2.8 pt-20 -96.59 4.25 52.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.745 0.307 . . . . 0.57 111.232 -175.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 75.88 18.69 2.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.477 -0.783 . . . . 1.47 111.62 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 56.6 mttm -97.94 58.13 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.89 109.896 173.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.56 ' HB2' ' HG ' ' A' ' 135' ' ' LEU . 77.0 m-85 -61.85 -30.72 71.04 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.109 -0.951 . . . . 0.46 112.268 -174.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.39 -40.65 87.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.228 0.537 . . . . 1.57 110.257 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.21 -29.59 38.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.705 -0.68 . . . . 0.67 109.922 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.513 ' HA ' ' HA2' ' A' ' 96' ' ' GLY . . . -58.83 -57.82 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.664 . . . . 0.22 110.218 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' A' ' 128' ' ' CYS . 13.4 mt -59.96 -33.96 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.476 -0.784 . . . . 0.51 111.057 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -56.48 -58.53 7.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.342 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' HA ' ' HG3' ' A' ' 114' ' ' LYS . 91.8 m-85 -74.43 -20.54 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.86 -0.609 . . . . 0.32 111.108 -177.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 127' ' ' LYS . 9.2 m-30 -63.18 -52.75 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.499 -0.556 . . . . 0.32 109.499 170.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 116' ' ' LEU . 10.3 m120 -58.42 -32.54 68.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.439 -0.346 . . . . 1.77 110.504 176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 19.3 mmtt -65.87 -33.29 75.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.55 . . . . 1.25 110.735 174.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.694 ' HB3' HG11 ' A' ' 124' ' ' VAL . 48.2 t -71.76 -43.74 65.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.431 -0.581 . . . . 1.04 109.431 175.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.555 HD12 ' HG3' ' A' ' 120' ' ' ARG . 1.5 mm? -57.61 -34.48 69.32 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.489 0.662 . . . . 0.38 109.547 172.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 114' ' ' LYS . . . -60.02 -48.15 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.785 -1.098 . . . . 0.41 111.465 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -85.52 -50.43 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.556 -0.293 . . . . 0.53 111.386 -177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.676 ' HB3' ' CB ' ' A' ' 89' ' ' ALA . 13.4 t-160 -144.72 98.58 3.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.019 0.437 . . . . 0.5 110.033 -176.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.555 ' HG3' HD12 ' A' ' 116' ' ' LEU . 30.5 ttt180 -60.41 115.25 3.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.528 -0.76 . . . . 2.87 110.334 -178.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 1.8 p -136.29 142.95 41.64 Favored Pre-proline 0 N--CA 1.446 -0.628 0 CA-C-N 115.984 -0.553 . . . . 0.62 110.981 -178.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 121' ' ' THR . 10.1 Cg_exo -67.38 -30.48 36.54 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.385 2.723 . . . . 0.76 113.54 -169.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.9 -43.96 82.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.528 0.204 . . . . 2.2 110.461 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.694 HG11 ' HB3' ' A' ' 115' ' ' SER . 41.4 t -68.72 -39.17 79.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 N-CA-C 109.917 -0.401 . . . . 0.35 109.917 177.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tt -60.38 -47.88 84.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.61 109.458 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -56.34 -50.09 72.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.384 -0.825 . . . . 2.04 110.724 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -58.79 -41.13 85.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.426 -0.806 . . . . 1.48 111.401 179.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' A' ' 109' ' ' ILE . 42.6 t -66.01 -43.31 88.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.283 -0.871 . . . . 0.91 109.914 -178.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.58 -39.8 94.39 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.813 -0.63 . . . . 1.38 110.218 176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.99 -44.98 75.38 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.568 -0.742 . . . . 1.72 110.826 -176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.87 94.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.299 0.481 . . . . 0.29 112.299 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 1.6 pt-20 -71.14 -38.07 72.27 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.488 -0.485 . . . . 2.04 111.465 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -73.67 -32.54 64.03 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.622 -0.431 . . . . 1.9 110.05 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.63 ' O ' ' HG2' ' A' ' 138' ' ' GLN . 34.1 mt -63.5 -39.43 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.857 -0.61 . . . . 0.48 110.108 171.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.56 ' HG ' ' HB2' ' A' ' 105' ' ' TYR . 1.2 mt -62.54 -39.93 95.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.751 0.31 . . . . 1.37 110.555 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 132' ' ' GLU . 45.7 mmtm -69.51 -14.14 62.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.554 0.692 . . . . 3.36 110.142 174.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 134' ' ' ILE . 32.3 tt0 -94.97 -18.39 21.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.919 -1.037 . . . . 2.28 110.147 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 134' ' ' ILE . 28.1 mm-40 -88.94 -28.75 20.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 1.75 111.739 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.295 -0.859 . . . . 2.99 111.003 -179.461 . . . . . . . . 0 0 . 1 stop_ save_